Geometry & MOs

Info

ID:	27952
PubChem CID:	824296
Reduced:	NO2H19C23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	322.040646
ΔH_f, kcal/mol:	4.18
Dipole, Da:	2.78
IP(EA), eV:	-8.38(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(1S)-2,2,2-trichloro-1-(propan-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C

DOS

IR

Vibrations