Geometry & MOs

Info

ID:	39115
PubChem CID:	8139715
Reduced:	N2O4C20H27 (1)
Stoich.:	A2B4C20D27 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-95.47
Dipole, Da:	3.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.138890
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3,4-trimethoxybenzamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=C(C(=C(C=C2)OC)OC)OC

DOS

IR

Vibrations