Geometry & MOs

Info

ID:	50866
PubChem CID:	12013455
Reduced:	BNPC22H25 (1)
Stoich.:	ABCD22E25 (1)
Weight, g/mol:	331.148987
ΔH_f, kcal/mol:	114.52
Dipole, Da:	3.78
IP(EA), eV:	-8.79(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-diphenylphosphanylethyl)-1-methylcyclohexa-2,5-diene-1-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations