Geometry & MOs

Info

ID:	206175
PubChem CID:	80217975
Reduced:	BrNO2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	277.184193
ΔH_f, kcal/mol:	-21.58
Dipole, Da:	2.06
IP(EA), eV:	-8.65(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-methylphenyl)-3-(4-methylazepan-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CNC(C1CCOC2=CC=CC=C12)C3=CC=C(O3)Br

DOS

IR

Vibrations