Geometry & MOs

Info

ID:	50867
PubChem CID:	12013456
Reduced:	NPC22H22 (1)
Stoich.:	ABC22D22 (1)
Weight, g/mol:	371.197417
ΔH_f, kcal/mol:	85.04
Dipole, Da:	5.27
IP(EA), eV:	-8.8(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

borane;4-(1-diphenylphosphanylethyl)-1-prop-2-enylcyclohexa-2,5-diene-1-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations