Geometry & MOs

Info

ID:	265768
PubChem CID:	103544965
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	-74.17
Dipole, Da:	4.89
IP(EA), eV:	-8.76(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylimidazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC(=C(N1CCC2=CC=CO2)N)C(=O)OC

DOS

IR

Vibrations