Geometry & MOs

Info

ID:	411640
PubChem CID:	135084472
Reduced:	OC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	153.057849
ΔH_f, kcal/mol:	-39.28
Dipole, Da:	2.11
IP(EA), eV:	-9.54(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-ethynylphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCCCC/C=C(/CO)\C1=CC=CC=C1

DOS

IR

Vibrations