Geometry & MOs

Info

ID:	25770
PubChem CID:	630514
Reduced:	O5H22C23 (1)
Stoich.:	A5B22C23 (1)
Weight, g/mol:	413.94418
ΔH_f, kcal/mol:	-128.26
Dipole, Da:	6.51
IP(EA), eV:	-8.81(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,11-bis(bromomethyl)benzo[c]phenanthrene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)C(=O)O

DOS

IR

Vibrations