Geometry & MOs

Info

ID:	347198
PubChem CID:	127271739
Reduced:	SN2O3C12H24 (1)
Stoich.:	AB2C3D12E24 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-155.02
Dipole, Da:	2.9
IP(EA), eV:	-9.34(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)N1CCCN(CC1)S(=O)(=O)C

DOS

IR

Vibrations