Geometry & MOs

Info

ID:	59908
PubChem CID:	24902359
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-27.26
Dipole, Da:	3.04
IP(EA), eV:	-8.96(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(piperidin-3-ylmethoxy)benzonitrile

Drug info:

PubChemData

Smile

C1CNCCC1COC2=CC=C(C=C2)Br

DOS

IR

Vibrations