Geometry & MOs

Info

ID:	369642
PubChem CID:	127334972
Reduced:	NSO5C17H23 (1)
Stoich.:	ABC5D17E23 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-211.99
Dipole, Da:	8.51
IP(EA), eV:	-8.65(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)O)OC2=CC=C(C=C2)NC(=O)C3CCS(=O)(=O)C3

DOS

IR

Vibrations