Geometry & MOs

Info

ID:	265784
PubChem CID:	103546041
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-133.51
Dipole, Da:	4.64
IP(EA), eV:	-8.86(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-[3-(2-methylpropylamino)-3-oxopropyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations