Geometry & MOs

Info

ID:	192996
PubChem CID:	78335681
Reduced:	FN2O4H27C29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	482.231791
ΔH_f, kcal/mol:	-105.05
Dipole, Da:	7.49
IP(EA), eV:	-7.8(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-4aH-naphtho[3,2-a]phenoxazine-8,13-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3=C(C24C5=CC=CC=C5N(C4=O)CC=C)C(=O)C6CC(CCC6O3)F

DOS

IR

Vibrations