Geometry & MOs

Info

ID:	360114
PubChem CID:	127300499
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	371.212139
ΔH_f, kcal/mol:	-64.01
Dipole, Da:	6.46
IP(EA), eV:	-8.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-cyclopropylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=C(C=C2)C#N)F)NC(=O)N(CC3CCOC3)C4CC4

DOS

IR

Vibrations