Geometry & MOs

Info

ID:	141333
PubChem CID:	52862192
Reduced:	NOC20H26 (1)
Stoich.:	ABC20D26 (1)
Weight, g/mol:	295.193614
ΔH_f, kcal/mol:	4.05
Dipole, Da:	5.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.013096
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,7-dihydrobenzo[d][2]benzazepine

Drug info:

PubChemData

Smile

CC(C)(C)OCC[NH+]1CC2=CC=CC=C2C3=CC=CC=C3C1

DOS

IR

Vibrations