Geometry & MOs

Info

ID:	367385
PubChem CID:	127324394
Reduced:	OSN6C15H22 (1)
Stoich.:	ABC6D15E22 (1)
Weight, g/mol:	302.185509
ΔH_f, kcal/mol:	27.01
Dipole, Da:	4.46
IP(EA), eV:	-9.06(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpyrazol-1-yl)-N-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCN(CC2)C(=O)NCCN3C=CC=N3

DOS

IR

Vibrations