Geometry & MOs

Info

ID:	369636
PubChem CID:	127334966
Reduced:	SN2O4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-174.51
Dipole, Da:	0.69
IP(EA), eV:	-8.52(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)NC2=CC=C(C=C2)OC3CCCCC3O

DOS

IR

Vibrations