Geometry & MOs

Info

ID:	9126
PubChem CID:	86347
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-19.79
Dipole, Da:	1.77
IP(EA), eV:	-8.59(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)ethyl 2-[(2-hydroxynaphthalen-1-yl)diazenyl]benzoate

Drug info:

PubChemData

Smile

CN(C)CCOC(=O)C1=CC=CC=C1N=NC2=C(C=CC3=CC=CC=C32)O

DOS

IR

Vibrations