Geometry & MOs

Info

ID:	12159
PubChem CID:	131621
Reduced:	ClFNOC19H21 (1)
Stoich.:	ABCDE19F21 (1)
Weight, g/mol:	333.12957
ΔH_f, kcal/mol:	-61.56
Dipole, Da:	2.93
IP(EA), eV:	-8.8(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-3-(3-fluoropropyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

Drug info:

PubChemData

Smile

C1CN(CC(C2=CC(=C(C=C21)Cl)O)C3=CC=CC=C3)CCCF

DOS

IR

Vibrations