Geometry & MOs

Info

ID:	368265
PubChem CID:	127327839
Reduced:	ON6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	384.23254
ΔH_f, kcal/mol:	35.63
Dipole, Da:	6.67
IP(EA), eV:	-9.1(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CNC(=O)N2CCC(C2)C3=CN(N=C3)C

DOS

IR

Vibrations