Geometry & MOs

Info

ID:	265769
PubChem CID:	103545085
Reduced:	O3N5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	265.088498
ΔH_f, kcal/mol:	-53.34
Dipole, Da:	7.11
IP(EA), eV:	-8.7(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=C(N1C2=CN(N=C2)CCOC)N)C(=O)OC

DOS

IR

Vibrations