Geometry & MOs

Info

ID:	382722
PubChem CID:	134974041
Reduced:	NH21C24 (1)
Stoich.:	AB21C24 (1)
Weight, g/mol:	183.104799
ΔH_f, kcal/mol:	145.89
Dipole, Da:	0.92
IP(EA), eV:	-8.0(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(4-methylphenyl)methylidene]pent-4-enenitrile

Drug info:

PubChemData

Smile

C/C=C\1/C(=CN/C1=C/C=C)C(C#CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations