Geometry & MOs

Info

ID:	403187
PubChem CID:	135059084
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	385.06774
ΔH_f, kcal/mol:	-84.03
Dipole, Da:	4.62
IP(EA), eV:	-8.45(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-5-(4-methoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-6-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C3CCCCC3C4=C(C2=O)C=C(C=C4)OC

DOS

IR

Vibrations