Geometry & MOs

Info

ID:	161208
PubChem CID:	57391037
Reduced:	ClFNO3C26H37 (1)
Stoich.:	ABCD3E26F37 (1)
Weight, g/mol:	452.223056
ΔH_f, kcal/mol:	-201.18
Dipole, Da:	4.4
IP(EA), eV:	-8.95(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-acetyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CCCCN(CCCC)CC(COC1=CC=CC=C1C(=O)CCC2=CC=C(C=C2)F)O.Cl

DOS

IR

Vibrations