Geometry & MOs

Info

ID:	310360
PubChem CID:	126579226
Reduced:	OCl2N5C25H29 (1)
Stoich.:	AB2C5D25E29 (1)
Weight, g/mol:	510.135609
ΔH_f, kcal/mol:	0.28
Dipole, Da:	2.09
IP(EA), eV:	-8.64(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]-2-methylpiperazin-1-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)[C@H]4CCCCN4)C#N

DOS

IR

Vibrations