Geometry & MOs

Info

ID:	347155
PubChem CID:	127271696
Reduced:	SO3N4C18H30 (1)
Stoich.:	AB3C4D18E30 (1)
Weight, g/mol:	305.210327
ΔH_f, kcal/mol:	-125.15
Dipole, Da:	6.17
IP(EA), eV:	-9.38(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-(oxan-4-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCC3CCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations