Geometry & MOs

Info

ID:	170167
PubChem CID:	75205093
Reduced:	NOH11C13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	402.090183
ΔH_f, kcal/mol:	19.76
Dipole, Da:	2.32
IP(EA), eV:	-8.39(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-[1-(2,4-dichlorophenyl)ethylamino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)NC3=CC4=C(C=C3)C5=CC=CC=C5C4

DOS

IR

Vibrations