Geometry & MOs

Info

ID:	182607
PubChem CID:	76913591
Reduced:	Cl2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	171.104799
ΔH_f, kcal/mol:	6.42
Dipole, Da:	4.19
IP(EA), eV:	-8.75(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4,5-trimethylphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)CC1C(NNC1N)C2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations