Geometry & MOs

Info

ID:	407440
PubChem CID:	135080104
Reduced:	NCl2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	197.120449
ΔH_f, kcal/mol:	-151.15
Dipole, Da:	3.77
IP(EA), eV:	-8.58(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[(E)-2-methylbut-2-enyl]phenyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(=O)NC(=COCOC)C1=C(C=CC(=C1)Cl)OCCCl

DOS

IR

Vibrations