Geometry & MOs

Info

ID:	209810
PubChem CID:	80725050
Reduced:	SN2C14H28 (1)
Stoich.:	AB2C14D28 (1)
Weight, g/mol:	265.161269
ΔH_f, kcal/mol:	-37.68
Dipole, Da:	3.04
IP(EA), eV:	-8.35(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

Drug info:

PubChemData

Smile

CCCC1CN(CCCN1)CC2(CCCS2)C

DOS

IR

Vibrations