Geometry & MOs

Info

ID:	276031
PubChem CID:	103820066
Reduced:	BrOSN3C11H18 (1)
Stoich.:	ABCD3E11F18 (1)
Weight, g/mol:	219.123243
ΔH_f, kcal/mol:	-11.1
Dipole, Da:	4.28
IP(EA), eV:	-8.65(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(CCSC)N(C)C1=NC=C(C(=N1)OC)Br

DOS

IR

Vibrations