Geometry & MOs

Info

ID:	219358
PubChem CID:	85147163
Reduced:	ClNO4C21H28 (1)
Stoich.:	ABC4D21E28 (1)
Weight, g/mol:	394.080101
ΔH_f, kcal/mol:	-190.01
Dipole, Da:	7.11
IP(EA), eV:	-9.52(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,8-dihydroxy-6-[(4-nitrophenyl)methoxy]-5,10b-dihydrophenanthridine-3,7-dione

Drug info:

PubChemData

Smile

C1CC(=O)N(C1C=CC(CC2=CC=C(C=C2)Cl)O)CCCCCCC(=O)O

DOS

IR

Vibrations