Geometry & MOs

Info

ID:	207022
PubChem CID:	80334941
Reduced:	OSN3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	308.14193
ΔH_f, kcal/mol:	-4.35
Dipole, Da:	4.2
IP(EA), eV:	-8.48(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-[(2-methoxypyridin-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=NC=C1)N2CCS(=O)CC2)N

DOS

IR

Vibrations