Geometry & MOs

Info

ID:	168943
PubChem CID:	75044203
Reduced:	BrClN2O2C22H24 (1)
Stoich.:	ABC2D2E22F24 (1)
Weight, g/mol:	644.09249
ΔH_f, kcal/mol:	-38.59
Dipole, Da:	7.58
IP(EA), eV:	-8.63(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CCOC2=C(C=CC(=C2)NC(=O)C=CC3=CC=CC=C3Cl)Br

DOS

IR

Vibrations