Geometry & MOs

Info

ID:	365886
PubChem CID:	127319138
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	392.23246
ΔH_f, kcal/mol:	7.84
Dipole, Da:	5.34
IP(EA), eV:	-8.61(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpyrazol-1-yl)-N-(5-phenyl-2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=CC(=N1)C2=CC=CC=C2)NC(=O)N3CCN4CCCCC4C3

DOS

IR

Vibrations