Geometry & MOs

Info

ID:	370919
PubChem CID:	127341320
Reduced:	FO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	385.216555
ΔH_f, kcal/mol:	-99.86
Dipole, Da:	3.26
IP(EA), eV:	-9.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-2-[3-(4-fluorobenzoyl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)NC(=O)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations