Geometry & MOs

Info

ID:	265786
PubChem CID:	103546044
Reduced:	N4O4C13H22 (1)
Stoich.:	A4B4C13D22 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-158.62
Dipole, Da:	5.63
IP(EA), eV:	-8.75(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=C(N1CCC(=O)NCCOC)N)C(=O)OC

DOS

IR

Vibrations