Geometry & MOs

Info

ID:	265776
PubChem CID:	103545170
Reduced:	O2N5C11H15 (1)
Stoich.:	A2B5C11D15 (1)
Weight, g/mol:	287.093977
ΔH_f, kcal/mol:	-22.29
Dipole, Da:	2.86
IP(EA), eV:	-9.06(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=C(N1CCN2C=CN=C2)N)C(=O)OC

DOS

IR

Vibrations