Geometry & MOs

Info

ID:	334273
PubChem CID:	127252825
Reduced:	ClN4O5C25H27 (1)
Stoich.:	AB4C5D25E27 (1)
Weight, g/mol:	320.137222
ΔH_f, kcal/mol:	-126.68
Dipole, Da:	4.62
IP(EA), eV:	-8.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(2-hydroxyethyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4CCN(CC4)C5=NC=CC=N5

DOS

IR

Vibrations