Geometry & MOs

Info

ID:	357514
PubChem CID:	127294147
Reduced:	SN2O3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-116.77
Dipole, Da:	9.13
IP(EA), eV:	-9.02(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-indazol-1-ylacetyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2C(=O)C3CCCN(C3)S(=O)(=O)CC4=CC=CC=C4

DOS

IR

Vibrations