Geometry & MOs

Info

ID:

59082

PubChem CID:

24770812

Reduced:

O4C9H11 (4)

Stoich.:

A4B9C11 (4)

Weight, g/mol:

305.137556

ΔHf, kcal/mol:

-667.15

Dipole, Da:

6.63

IP(EA), eV:

 -8.25(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-amino-3-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)OC)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OCC4=CC=CC=C4

DOS

IR

Vibrations