Geometry & MOs

Info

ID:	35061
PubChem CID:	7979247
Reduced:	NSO5H21C22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	-147.06
Dipole, Da:	3.56
IP(EA), eV:	-8.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)COC(=O)[C@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations