Geometry & MOs

Info

ID:	409711
PubChem CID:	135082496
Reduced:	PC29H33 (1)
Stoich.:	AB29C33 (1)
Weight, g/mol:	644.13536
ΔH_f, kcal/mol:	110.17
Dipole, Da:	2.58
IP(EA), eV:	-6.07(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bromo-[2-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]phenyl]-tributyl-lambda5-phosphane

Drug info:

PubChemData

Smile

CC(C)(C)C1=C([C+]1C(C)(C)C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations