Geometry & MOs

Info

ID:

174996

PubChem CID:

75843656

Reduced:

N2O4C23H29 (1)

Stoich.:

A2B4C23D29 (1)

Weight, g/mol:

387.183931

ΔHf, kcal/mol:

-98.19

Dipole, Da:

4.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.774192

Charge, e:

 1

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-2-[3-(phenylmethoxymethyl)piperidin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(C[NH+](C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)COCC4=CC=CC=C4

DOS

IR

Vibrations