Geometry & MOs

Info

ID:	170178
PubChem CID:	75205104
Reduced:	O2N4H26C29 (1)
Stoich.:	A2B4C26D29 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	67.01
Dipole, Da:	3.89
IP(EA), eV:	-8.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoylamino]-N-ethylbenzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations