Geometry & MOs

Info

ID:	122446
PubChem CID:	50807140
Reduced:	N2O4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-85.71
Dipole, Da:	6.82
IP(EA), eV:	-8.7(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-(propanoylamino)benzoic acid

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2CN1C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations