Geometry & MOs

Info

ID:	347222
PubChem CID:	127271763
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	394.273262
ΔH_f, kcal/mol:	-65.18
Dipole, Da:	6.43
IP(EA), eV:	-9.31(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N3CCCC(C3)C(=O)NCC4CC4

DOS

IR

Vibrations