Geometry & MOs

Info

ID:	269091
PubChem CID:	103612712
Reduced:	BrClNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	201.076293
ΔH_f, kcal/mol:	-74.63
Dipole, Da:	4.37
IP(EA), eV:	-9.44(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-6-methylpyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile

Drug info:

PubChemData

Smile

CCN(CCOC)C(=O)C1=C(C=CC(=C1)Cl)Br

DOS

IR

Vibrations