Geometry & MOs

Info

ID:	162396
PubChem CID:	57394545
Reduced:	N2O2C25H34 (1)
Stoich.:	A2B2C25D34 (1)
Weight, g/mol:	344.246378
ΔH_f, kcal/mol:	-70.78
Dipole, Da:	4.46
IP(EA), eV:	-9.94(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[ethyl(propyl)amino]butan-1-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1(C2=C(C=NC=C2)C(=O)N1)C3=CC=CC=C3

DOS

IR

Vibrations