Geometry & MOs

Info

ID:	285181
PubChem CID:	104098499
Reduced:	N2S2O3C9H14 (1)
Stoich.:	A2B2C3D9E14 (1)
Weight, g/mol:	238.073372
ΔH_f, kcal/mol:	-11.25
Dipole, Da:	5.64
IP(EA), eV:	-8.62(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-methyl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(CNCC1=CC=C(S1)[N+](=O)[O-])S(=O)C

DOS

IR

Vibrations