Geometry & MOs

Info

ID:	152480
PubChem CID:	56311416
Reduced:	FON2C13H16 (2)
Stoich.:	ABC2D13E16 (2)
Weight, g/mol:	476.12232
ΔH_f, kcal/mol:	-119.2
Dipole, Da:	3.58
IP(EA), eV:	-8.64(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]acetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3CCCN(CC3)CC4=CC=CC=C4F)F

DOS

IR

Vibrations