Geometry & MOs

Info

ID:	216397
PubChem CID:	85086161
Reduced:	NO2H13C17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	263.094629
ΔH_f, kcal/mol:	23.21
Dipole, Da:	4.62
IP(EA), eV:	-9.11(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-4-oxo-2-phenylbut-2-enenitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)C#N

DOS

IR

Vibrations