Geometry & MOs

Info

ID:	50868
PubChem CID:	12013457
Reduced:	BNPC24H27 (1)
Stoich.:	ABCD24E27 (1)
Weight, g/mol:	357.164637
ΔH_f, kcal/mol:	136.68
Dipole, Da:	3.43
IP(EA), eV:	-8.65(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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

DOS

IR

Vibrations