Geometry & MOs

Info

ID:	282765
PubChem CID:	103938193
Reduced:	OSN5C11H15 (1)
Stoich.:	ABC5D11E15 (1)
Weight, g/mol:	263.120467
ΔH_f, kcal/mol:	22.95
Dipole, Da:	3.56
IP(EA), eV:	-8.96(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)SC2=NNC(=O)N2C)N

DOS

IR

Vibrations