Geometry & MOs

Info

ID:	355942
PubChem CID:	127290794
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-79.31
Dipole, Da:	10.23
IP(EA), eV:	-9.04(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpyrazol-4-yl)methyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)N3CC4=CC=CC=C4C3

DOS

IR

Vibrations