Geometry & MOs

Info

ID:	50869
PubChem CID:	12013458
Reduced:	NPC24H24 (1)
Stoich.:	ABC24D24 (1)
Weight, g/mol:	421.213067
ΔH_f, kcal/mol:	104.09
Dipole, Da:	4.69
IP(EA), eV:	-8.88(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-(1-diphenylphosphanylethyl)cyclohexa-2,5-diene-1-carbonitrile;borane

Drug info:

PubChemData

Smile

CC(C1C=CC(C=C1)(CC=C)C#N)P(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations