Geometry & MOs

Info

ID:	265765
PubChem CID:	103544883
Reduced:	F2O2N3C13H13 (1)
Stoich.:	A2B2C3D13E13 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	-122.42
Dipole, Da:	5.17
IP(EA), eV:	-8.82(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-(oxan-2-ylmethyl)imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC(=C(N1C2=C(C(=CC=C2)F)F)N)C(=O)OC

DOS

IR

Vibrations