Geometry & MOs

Info

ID:	27520
PubChem CID:	821779
Reduced:	O3H16C17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	322.040646
ΔH_f, kcal/mol:	-83.99
Dipole, Da:	3.98
IP(EA), eV:	-9.74(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(1R)-2,2,2-trichloro-1-(propan-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CC(=O)C2=CC=CC=C2)CC(=O)O

DOS

IR

Vibrations