Geometry & MOs

Info

ID:	6477
PubChem CID:	68721
Reduced:	NO3C26H29 (1)
Stoich.:	AB3C26D29 (1)
Weight, g/mol:	403.214744
ΔH_f, kcal/mol:	-54.28
Dipole, Da:	3.06
IP(EA), eV:	-8.8(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)ethyl-methylamino]-3-phenoxypropan-2-ol

Drug info:

PubChemData

Smile

CN(CCC1C2=CC=CC=C2COC3=CC=CC=C13)CC(COC4=CC=CC=C4)O

DOS

IR

Vibrations