Geometry & MOs

Info

ID:	265115
PubChem CID:	103510660
Reduced:	O3N4C12H12 (1)
Stoich.:	A3B4C12D12 (1)
Weight, g/mol:	253.106256
ΔH_f, kcal/mol:	-57.26
Dipole, Da:	2.4
IP(EA), eV:	-9.82(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methylimidazole-4-carbonyl)amino]oxane-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=NC=C1C(=O)NCC2=NC=CC(=C2)C(=O)O

DOS

IR

Vibrations