Geometry & MOs

Info

ID:	342284
PubChem CID:	127265061
Reduced:	FON3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	313.15904
ΔH_f, kcal/mol:	-37.36
Dipole, Da:	3.96
IP(EA), eV:	-9.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperazine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)F)C(=O)NC2(CCN(CC2)C)C#N

DOS

IR

Vibrations