Geometry & MOs

Info

ID:	146090
PubChem CID:	53634185
Reduced:	NO3C12H20 (2)
Stoich.:	AB3C12D20 (2)
Weight, g/mol:	307.061136
ΔH_f, kcal/mol:	-320.57
Dipole, Da:	4.56
IP(EA), eV:	-9.36(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-4-(2-ethoxyethenyl)-3-methoxy-1H-1-benzazepine-2,5-dione

Drug info:

PubChemData

Smile

C1CC(C(CC1O)O)C2CC3C(CC2N)OC4CC(=O)C(CC4N3)C5CCC(CC5O)O

DOS

IR

Vibrations