Geometry & MOs

Info

ID:	424837
PubChem CID:	135124149
Reduced:	O3N4C31H34 (1)
Stoich.:	A3B4C31D34 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	-9.89
Dipole, Da:	8.88
IP(EA), eV:	-8.89(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,4-diamino-5-(3-hydroxyanilino)anilino]phenol

Drug info:

PubChemData

Smile

CC(C1CCCCC1)OC2=CC=CC(=C2)C3=CC(=CC=C3)N4C=CC(=C4[C@@H]5C[C@H]5C6=CN(N=N6)C)C(=O)O

DOS

IR

Vibrations