Geometry & MOs

Info

ID:	262735
PubChem CID:	103312972
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	293.108565
ΔH_f, kcal/mol:	-74.17
Dipole, Da:	5.61
IP(EA), eV:	-8.99(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]butanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(CN)OC2CCC3=CC=CC=C3NC2=O

DOS

IR

Vibrations