Geometry & MOs

Info

ID:	265764
PubChem CID:	103544881
Reduced:	N3O4C12H19 (1)
Stoich.:	A3B4C12D19 (1)
Weight, g/mol:	281.097583
ΔH_f, kcal/mol:	-149.26
Dipole, Da:	5.58
IP(EA), eV:	-8.75(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-(2,3-difluorophenyl)-2-ethylimidazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC(=C(N1CC2COCCO2)N)C(=O)OC

DOS

IR

Vibrations