Geometry & MOs

Info

ID:	175564
PubChem CID:	75921759
Reduced:	OCl2N2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	261.115364
ΔH_f, kcal/mol:	-59.47
Dipole, Da:	6.45
IP(EA), eV:	-9.54(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3,5-dimethylphenyl)prop-2-enoyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C=C(C2NC3CCC(CC3C(=O)N2)Cl)Cl)C

DOS

IR

Vibrations