Geometry & MOs

Info

ID:	371238
PubChem CID:	127344447
Reduced:	OSN5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	1.06
Dipole, Da:	4.14
IP(EA), eV:	-9.14(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)NC(C)C3=CSC(=N3)C

DOS

IR

Vibrations