Geometry & MOs

Info

ID:	265778
PubChem CID:	103545241
Reduced:	ON2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	-73.63
Dipole, Da:	5.76
IP(EA), eV:	-8.67(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-[4-[methyl(propan-2-yl)amino]butyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC(=C(N1CC(C)N(C)C)N)C(=O)OC

DOS

IR

Vibrations