Geometry & MOs

Info

ID:	193840
PubChem CID:	78445496
Reduced:	ClNO5C31H36 (1)
Stoich.:	ABC5D31E36 (1)
Weight, g/mol:	362.305905
ΔH_f, kcal/mol:	-177.41
Dipole, Da:	2.95
IP(EA), eV:	-8.19(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]-[(4-methoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2C3C(=NC(=C2C(=O)OC(C)CC)C)CC(CC3=O)C4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations