Geometry & MOs

Info

ID:	347234
PubChem CID:	127271775
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	392.224597
ΔH_f, kcal/mol:	-1.53
Dipole, Da:	4.58
IP(EA), eV:	-7.99(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NC3=NC=C(C=C3)N4CCCCC4

DOS

IR

Vibrations