Geometry & MOs

Info

ID:	58496
PubChem CID:	24702060
Reduced:	BrON3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	45.81
Dipole, Da:	0.48
IP(EA), eV:	-9.61(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-N-piperidin-4-ylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)OC2=NC=C(C=C2)C(=N)N

DOS

IR

Vibrations