Geometry & MOs

Info

ID:	143462
PubChem CID:	53212635
Reduced:	N3O3C10H11 (1)
Stoich.:	A3B3C10D11 (1)
Weight, g/mol:	235.095691
ΔH_f, kcal/mol:	-72.3
Dipole, Da:	8.19
IP(EA), eV:	-9.49(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C2=CC=CN12)C(C)C(=O)O

DOS

IR

Vibrations