Geometry & MOs

Info

ID:	286151
PubChem CID:	104156586
Reduced:	FON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	294.03678
ΔH_f, kcal/mol:	-45.31
Dipole, Da:	3.3
IP(EA), eV:	-9.2(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(4-methoxypiperidin-1-yl)benzonitrile

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)CNC)OC2=CC(=CC=C2)F

DOS

IR

Vibrations