Geometry & MOs

Info

ID:	148505
PubChem CID:	53788168
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-103.56
Dipole, Da:	4.94
IP(EA), eV:	-8.94(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC2=C(C=CC(=C2)N)[C@H]3[C@H](C1=O)CC(=O)O3

DOS

IR

Vibrations