Geometry & MOs

Info

ID:	59947
PubChem CID:	26512236
Reduced:	N2O4C21H29 (1)
Stoich.:	A2B4C21D29 (1)
Weight, g/mol:	372.204907
ΔH_f, kcal/mol:	-103.09
Dipole, Da:	4.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.925389
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCNC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations