Geometry & MOs

Info

ID:	168947
PubChem CID:	75044207
Reduced:	BrClO2N4C27H34 (1)
Stoich.:	ABC2D4E27F34 (1)
Weight, g/mol:	650.15068
ΔH_f, kcal/mol:	-29.57
Dipole, Da:	7.8
IP(EA), eV:	-8.45(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-bromo-3-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]phenyl]-3-(2-chlorophenyl)prop-2-enamide;oxalic acid

Drug info:

PubChemData

Smile

C1CCN(C1)CCN2CCN(CC2)CCOC3=C(C=CC(=C3)NC(=O)C=CC4=CC=CC=C4Cl)Br

DOS

IR

Vibrations