Geometry & MOs

Info

ID:	280851
PubChem CID:	103851596
Reduced:	SN2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	46.7
Dipole, Da:	2.04
IP(EA), eV:	-8.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-4-ol

Drug info:

PubChemData

Smile

C1CSCCC1NCC2=CC=CC=C2C#N

DOS

IR

Vibrations