Geometry & MOs

Info

ID:	27485
PubChem CID:	821579
Reduced:	ClON2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	343.983074
ΔH_f, kcal/mol:	48.74
Dipole, Da:	5.36
IP(EA), eV:	-9.77(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Cl)C#N

DOS

IR

Vibrations