Geometry & MOs

Info

ID:	347170
PubChem CID:	127271711
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-72.54
Dipole, Da:	5.05
IP(EA), eV:	-8.69(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N(C)CC3COC4=CC=CC=C4O3

DOS

IR

Vibrations