Geometry & MOs

Info

ID:	315638
PubChem CID:	126628293
Reduced:	NOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	399.158292
ΔH_f, kcal/mol:	42.53
Dipole, Da:	5.1
IP(EA), eV:	-8.14(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[hydroxy-(2-methylanilino)methyl]-1-[(2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C#CC1)N(C(=O)CC2)C

DOS

IR

Vibrations