Geometry & MOs

Info

ID:	23934
PubChem CID:	607152
Reduced:	NO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	404.173607
ΔH_f, kcal/mol:	-52.81
Dipole, Da:	4.4
IP(EA), eV:	-8.46(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)NN2C3=CC=CC=C3CCC4=CC=CC=C42

DOS

IR

Vibrations