Geometry & MOs

Info

ID:	265788
PubChem CID:	103546213
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	221.080041
ΔH_f, kcal/mol:	-37.47
Dipole, Da:	5.13
IP(EA), eV:	-8.76(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-(furan-3-ylmethyl)imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC(=C(N1CCC2=NC=CN2)N)C(=O)OC

DOS

IR

Vibrations