Geometry & MOs

Info

ID:	25794
PubChem CID:	630866
Reduced:	ClN4O6H7C12 (1)
Stoich.:	AB4C6D7E12 (1)
Weight, g/mol:	354.086056
ΔH_f, kcal/mol:	32.5
Dipole, Da:	6.06
IP(EA), eV:	-10.17(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl

DOS

IR

Vibrations