Geometry & MOs

Info

ID:	347182
PubChem CID:	127271723
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-53.6
Dipole, Da:	2.57
IP(EA), eV:	-8.85(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)N2CCN(CC2)C(=O)C3=CN(N=C3C4CCCCC4)C

DOS

IR

Vibrations