Geometry & MOs

Info

ID:	265772
PubChem CID:	103545114
Reduced:	ClN4O4H11C12 (1)
Stoich.:	AB4C4D11E12 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	-39.41
Dipole, Da:	4.75
IP(EA), eV:	-9.02(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-ethyl-1-(1-propylpiperidin-4-yl)imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N)C(=O)OC

DOS

IR

Vibrations