Geometry & MOs

Info

ID:	170165
PubChem CID:	75205091
Reduced:	O2F3N3C24H24 (1)
Stoich.:	A2B3C3D24E24 (1)
Weight, g/mol:	488.16714
ΔH_f, kcal/mol:	-159.48
Dipole, Da:	4.94
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations