Geometry & MOs

Info

ID:	80085
PubChem CID:	49832807
Reduced:	NO2C20H25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	443.247187
ΔH_f, kcal/mol:	-60.52
Dipole, Da:	4.2
IP(EA), eV:	-8.91(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-(4-fluorophenyl)-5,5-dimethyl-1,3-dioxan-2-yl]propyl]-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-5-ol

Drug info:

PubChemData

Smile

C1CN(CC(C2=C1C=C(C=C2)O)O)CCCCC3=CC=CC=C3

DOS

IR

Vibrations