Geometry & MOs

Info

ID:	347297
PubChem CID:	127272091
Reduced:	OS2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	28.53
Dipole, Da:	2.21
IP(EA), eV:	-8.61(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)N2CCCC(C2)N3CCCC3)C4=CC=CS4

DOS

IR

Vibrations