Geometry & MOs

Info

ID:	398508
PubChem CID:	135033565
Reduced:	NO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	323.115758
ΔH_f, kcal/mol:	-104.4
Dipole, Da:	5.85
IP(EA), eV:	-8.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(4-hydroxy-3-methoxy-2-methylphenyl)naphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1OC)O)NC2=CC3=CC=CC=C3C=C2C(=O)O

DOS

IR

Vibrations