Geometry & MOs

Info

ID:	153607
PubChem CID:	56312873
Reduced:	OF2N2C21H24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	397.216555
ΔH_f, kcal/mol:	-100.44
Dipole, Da:	4.42
IP(EA), eV:	-8.96(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CCC2=CC=C(C=C2)F)CC3=CC=CC=C3F

DOS

IR

Vibrations