Geometry & MOs

Info

ID:	394888
PubChem CID:	135024039
Reduced:	BrNO4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	381.194008
ΔH_f, kcal/mol:	-132.46
Dipole, Da:	1.67
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(3-piperidin-1-ylpropoxy)benzoyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC2=C(C3=CC=CC=C3C(=C2CN1CCBr)OC)OC

DOS

IR

Vibrations