Geometry & MOs

Info

ID:	258491
PubChem CID:	103154452
Reduced:	SN2O2C13H22 (1)
Stoich.:	AB2C2D13E22 (1)
Weight, g/mol:	285.124405
ΔH_f, kcal/mol:	-95.36
Dipole, Da:	3.78
IP(EA), eV:	-8.95(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methoxybutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(C)NC(=O)CC(CN)OC

DOS

IR

Vibrations