Geometry & MOs

Info

ID:	265782
PubChem CID:	103545837
Reduced:	O3N4C11H14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-39.25
Dipole, Da:	3.98
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC(=C(N1CC2=NOC=C2)N)C(=O)OC

DOS

IR

Vibrations