Geometry & MOs

Info

ID:	373452
PubChem CID:	131315574
Reduced:	O4C9H14 (1)
Stoich.:	A4B9C14 (1)
Weight, g/mol:	196.096026
ΔH_f, kcal/mol:	-181.53
Dipole, Da:	2.78
IP(EA), eV:	-10.15(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-2-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)acetate

Drug info:

PubChemData

Smile

CCC(=O)OC1C(OCCC1=O)C

DOS

IR

Vibrations