Geometry & MOs

Info

ID:	204326
PubChem CID:	79947922
Reduced:	SN2O2C15H24 (1)
Stoich.:	AB2C2D15E24 (1)
Weight, g/mol:	289.136117
ΔH_f, kcal/mol:	-71.8
Dipole, Da:	1.74
IP(EA), eV:	-8.18(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,4-dimethylthian-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine

Drug info:

PubChemData

Smile

CC1(CCSCC1NC2=CN=C(C=C2)OCCOC)C

DOS

IR

Vibrations