Geometry & MOs

Info

ID:	170156
PubChem CID:	75205082
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	408.08524
ΔH_f, kcal/mol:	-53.2
Dipole, Da:	1.49
IP(EA), eV:	-9.27(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C=CC2=CC=C(C=C2)C(=O)NC3CC3)C

DOS

IR

Vibrations