Geometry & MOs

Info

ID:	75854
PubChem CID:	48424072
Reduced:	BrNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	282.230728
ΔH_f, kcal/mol:	-96.9
Dipole, Da:	5.06
IP(EA), eV:	-9.12(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=C(C=CC(=C1)OC)Br)OCC2CC2

DOS

IR

Vibrations