Geometry & MOs

Info

ID:	141335
PubChem CID:	52862194
Reduced:	N2O2C25H26 (1)
Stoich.:	A2B2C25D26 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-19.92
Dipole, Da:	7.99
IP(EA), eV:	-8.85(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)propanoate

Drug info:

PubChemData

Smile

CCC1=C(NC(=C1C(=O)C)C)C(=O)CN2CC3=CC=CC=C3C4=CC=CC=C4C2

DOS

IR

Vibrations