Geometry & MOs

Info

ID:	365792
PubChem CID:	127318517
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	368.196074
ΔH_f, kcal/mol:	-85.86
Dipole, Da:	6.7
IP(EA), eV:	-9.18(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-pyridin-4-ylpyrazol-3-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1CCCC1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

DOS

IR

Vibrations