Geometry & MOs

Info

ID:	368283
PubChem CID:	127327867
Reduced:	ClO2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	396.207388
ΔH_f, kcal/mol:	-32.26
Dipole, Da:	2.7
IP(EA), eV:	-9.1(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NC3CC(=O)N(C3)C4=CC=CC=C4Cl

DOS

IR

Vibrations