Geometry & MOs

Info

ID:	170172
PubChem CID:	75205098
Reduced:	ON3H9C10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	397.179027
ΔH_f, kcal/mol:	81.45
Dipole, Da:	9.29
IP(EA), eV:	-9.3(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-oxo-3-[4-(pyridin-4-ylmethyl)anilino]prop-1-enyl]benzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)NC3=CC=C(C=C3)N4C=NN=N4

DOS

IR

Vibrations