Geometry & MOs

Info

ID:	26733
PubChem CID:	795066
Reduced:	N4O5C9H16 (1)
Stoich.:	A4B5C9D16 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-216.12
Dipole, Da:	1.49
IP(EA), eV:	-10.06(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]benzohydrazide

Drug info:

PubChemData

Smile

CN1[C@H]([C@@H](N(C1=O)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations