Geometry & MOs

Info

ID:	347129
PubChem CID:	127271633
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-9.63
Dipole, Da:	4.69
IP(EA), eV:	-8.32(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NC3=NC4=C(S3)CCCC4

DOS

IR

Vibrations