Geometry & MOs

Info

ID:	154861
PubChem CID:	56314404
Reduced:	FN2O2C25H33 (1)
Stoich.:	AB2C2D25E33 (1)
Weight, g/mol:	352.198463
ΔH_f, kcal/mol:	-113.8
Dipole, Da:	3.87
IP(EA), eV:	-8.51(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-(3-methylbutylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCCCCC(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations