Geometry & MOs

Info

ID:	347154
PubChem CID:	127271695
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	382.203862
ΔH_f, kcal/mol:	-91.34
Dipole, Da:	6.54
IP(EA), eV:	-8.75(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CN(N=C1C2CCCCC2)C)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations