Geometry & MOs

Info

ID:	35096
PubChem CID:	7979300
Reduced:	N2O3C20H33 (1)
Stoich.:	A2B3C20D33 (1)
Weight, g/mol:	348.241293
ΔH_f, kcal/mol:	-117.14
Dipole, Da:	3.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.200199
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-N-[(2R)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]acetamide

Drug info:

PubChemData

Smile

C[NH+](C)[C@@H](CNC(=O)CC1CCCCC1)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations