Geometry & MOs

Info

ID:	217741
PubChem CID:	85088302
Reduced:	BrN5H16C19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	394.080101
ΔH_f, kcal/mol:	123.31
Dipole, Da:	6.41
IP(EA), eV:	-8.98(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,8-trihydroxy-6-[(4-nitrophenyl)methoxy]-6aH-phenanthridin-9-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2=CN=CC(=N2)N3C=NC4=C3C=CC(=C4)Br

DOS

IR

Vibrations