Geometry & MOs

Info

ID:	260707
PubChem CID:	103200962
Reduced:	O2N4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	254.057053
ΔH_f, kcal/mol:	17.24
Dipole, Da:	5.62
IP(EA), eV:	-9.51(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)CC(=O)OC

DOS

IR

Vibrations