Geometry & MOs

Info

ID:	148506
PubChem CID:	53788169
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-106.11
Dipole, Da:	8.0
IP(EA), eV:	-9.5(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,8-dimethyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=C(C(=O)N(C2)C)CC(=O)O

DOS

IR

Vibrations