Geometry & MOs

Info

ID:	59951
PubChem CID:	26512240
Reduced:	N2O3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	384.241293
ΔH_f, kcal/mol:	-76.82
Dipole, Da:	4.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.930908
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations