Geometry & MOs

Info

ID:	147557
PubChem CID:	53787213
Reduced:	NO4C9H9 (1)
Stoich.:	AB4C9D9 (1)
Weight, g/mol:	540.310041
ΔH_f, kcal/mol:	-137.81
Dipole, Da:	5.54
IP(EA), eV:	-9.6(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(N-carbamoyl-3,4-dimethylanilino)-2-oxo-5,7-diphenylazepan-1-yl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1O)C=O)C(C(=O)N)O

DOS

IR

Vibrations