Geometry & MOs

Info

ID:	265773
PubChem CID:	103545120
Reduced:	O2N4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	280.060783
ΔH_f, kcal/mol:	-79.94
Dipole, Da:	5.03
IP(EA), eV:	-8.8(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-(2-fluoro-4-nitrophenyl)imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)N2C(=NC(=C2N)C(=O)OC)CC

DOS

IR

Vibrations