Geometry & MOs

Info

ID:	54631
PubChem CID:	17389014
Reduced:	N3O5H17C21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	343.132077
ΔH_f, kcal/mol:	-3.93
Dipole, Da:	3.67
IP(EA), eV:	-9.01(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(Z)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]pyridine-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=C(O2)/C=N/N3C(=O)C4C5CC(C4C3=O)C=C5)[N+](=O)[O-]

DOS

IR

Vibrations