Geometry & MOs

Info

ID:	265780
PubChem CID:	103545497
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-114.88
Dipole, Da:	3.96
IP(EA), eV:	-8.81(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=C(N1CC2CCOCC2)N)C(=O)OC

DOS

IR

Vibrations