Geometry & MOs

Info

ID:	265763
PubChem CID:	103544868
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	269.137556
ΔH_f, kcal/mol:	-30.41
Dipole, Da:	5.11
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-(1,4-dioxan-2-ylmethyl)-2-ethylimidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=C(N1CCC2=CN=CC=C2)N)C(=O)OC

DOS

IR

Vibrations