Geometry & MOs

Info

ID:	372657
PubChem CID:	131301688
Reduced:	NO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	220.096026
ΔH_f, kcal/mol:	-70.09
Dipole, Da:	3.9
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-2-(2-methylimidazo[1,2-a]pyrimidin-3-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1C)C(C#N)O)OCO2

DOS

IR

Vibrations