Geometry & MOs

Info

ID:	292942
PubChem CID:	117365642
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	245.098669
ΔH_f, kcal/mol:	-10.06
Dipole, Da:	3.32
IP(EA), eV:	-8.65(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C(=O)CC2=C1C(=CC=C2)CN3CCNCC3

DOS

IR

Vibrations