Geometry & MOs

Info

ID:	81248
PubChem CID:	49854506
Reduced:	NOH5C6 (3)
Stoich.:	ABC5D6 (3)
Weight, g/mol:	346.131742
ΔH_f, kcal/mol:	0.77
Dipole, Da:	4.91
IP(EA), eV:	-8.84(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzohydrazide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC=CO3

DOS

IR

Vibrations