Geometry & MOs

Info

ID:	362637
PubChem CID:	127308905
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	356.20124
ΔH_f, kcal/mol:	-82.6
Dipole, Da:	1.44
IP(EA), eV:	-9.42(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)N2CCOC(C2)CN3C=CC=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations