Geometry & MOs

Info

ID:	342000
PubChem CID:	127264693
Reduced:	BrClNC10H15 (1)
Stoich.:	ABCD10E15 (1)
Weight, g/mol:	810.414562
ΔH_f, kcal/mol:	-27.37
Dipole, Da:	2.56
IP(EA), eV:	-9.5(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(3,5-dimethylphenyl)-[2-[1-[2-[(2,5-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]phenyl]ethyl]cyclopentyl]phosphane;carbanide;cyclopentane;iron(2+)

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC=C(C=C1)Br)N.Cl

DOS

IR

Vibrations