Geometry & MOs

Info

ID:	320476
PubChem CID:	126661318
Reduced:	FN2O3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	341.152812
ΔH_f, kcal/mol:	-50.92
Dipole, Da:	1.88
IP(EA), eV:	-9.65(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyanophenyl)-4-methyl-5-[(1E)-1-(2-oxopiperidin-3-ylidene)ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C2CC(CCNC2=O)CC3=C(C=C(C=C13)F)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations