Geometry & MOs

Info

ID:	404804
PubChem CID:	135071149
Reduced:	NO2H12C13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-60.11
Dipole, Da:	4.49
IP(EA), eV:	-9.43(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-3-[hydroxy(phenyl)methyl]-4-methyl-4,5-dihydro-3H-1-benzoxepin-2-one

Drug info:

PubChemData

Smile

C/C(=C(\CN(C(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)/C(=O)OC)/C3=CC=CC=C3

DOS

IR

Vibrations