Geometry & MOs

Info

ID:	346565
PubChem CID:	127271069
Reduced:	O2N3C24H25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-19.22
Dipole, Da:	1.35
IP(EA), eV:	-8.89(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-1H-indazole-7-carboxamide

Drug info:

PubChemData

Smile

CN1CCC2(CC1)CC(C3=CC=CC=C3O2)NC(=O)C4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations