Geometry & MOs

Info

ID:	148508
PubChem CID:	53788171
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-102.62
Dipole, Da:	6.05
IP(EA), eV:	-8.72(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=CC2=C(C=C1)[C@H]3[C@@H](CC(=O)O3)C(=O)N(C2)C

DOS

IR

Vibrations