Geometry & MOs

Info

ID:	148434
PubChem CID:	53788096
Reduced:	N4O9H22C27 (1)
Stoich.:	A4B9C22D27 (1)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	-269.17
Dipole, Da:	9.71
IP(EA), eV:	-8.96(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)OC3=CC=CC(=C3N)C(=O)OC4=CC=CC(=C4N)C(=O)C[C@@H](C(=O)O)N

DOS

IR

Vibrations