Geometry & MOs

Info

ID:	175369
PubChem CID:	75889870
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	277.110279
ΔH_f, kcal/mol:	-60.79
Dipole, Da:	3.15
IP(EA), eV:	-8.88(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-ethoxyphenyl)prop-2-enoyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC=CC=C1)NC(=O)NCC2=CC(=CC=C2)OC

DOS

IR

Vibrations