Geometry & MOs

Info

ID:	193442
PubChem CID:	78395318
Reduced:	O10C23H30 (1)
Stoich.:	A10B23C30 (1)
Weight, g/mol:	403.05718
ΔH_f, kcal/mol:	-412.05
Dipole, Da:	7.9
IP(EA), eV:	-9.04(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3,4,8a-tetrahydro-1H-benzo[a]phenanthridin-5-ylidene)-4-bromocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCOC1CC(C2C(C1)OC=C(C2=O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O

DOS

IR

Vibrations