Geometry & MOs

Info

ID:

149743

PubChem CID:

53789418

Reduced:

Cl5O8N10C71H99 (1)

Stoich.:

A5B8C10D71E99 (1)

Weight, g/mol:

406.121483

ΔHf, kcal/mol:

-326.18

Dipole, Da:

10.84

IP(EA), eV:

 -8.65(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2E)-3-(3,4-dichlorophenyl)-2-methoxyiminobutyl]-N,3,5-trimethylbenzamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)N2CCCC(C2=O)CC(=O)N.CCCN1CCC(CC1)N2CCCC(C2=O)CC(=O)NC.CC1=CC(=CC(=C1)C(=O)N(C)C/C(=N/OC)/C(C)C2=CC(=C(C=C2)Cl)Cl)C.CC1=CC(=CC(=C1)Cl)C(=O)N(C)C/C(=N/O)/C(C)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations