Geometry & MOs

Info

ID:	303815
PubChem CID:	124490211
Reduced:	N3O4C12H19 (1)
Stoich.:	A3B4C12D19 (1)
Weight, g/mol:	311.168543
ΔH_f, kcal/mol:	-178.66
Dipole, Da:	8.35
IP(EA), eV:	-10.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(azepan-1-yl)-1-(4-fluorophenyl)-2-phenylethanone

Drug info:

PubChemData

Smile

CCC[C@]1(C(=O)NC(=NC1=O)N)CCCCC(=O)O

DOS

IR

Vibrations