Geometry & MOs

Info

ID:	190556
PubChem CID:	78020411
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	537.17166
ΔH_f, kcal/mol:	-44.64
Dipole, Da:	5.54
IP(EA), eV:	-8.32(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[4-[4-chloro-2-(1-pyrrolidin-1-ylpropan-2-yloxy)phenyl]piperidin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one

Drug info:

PubChemData

Smile

CC12CC3=C(C(N1C(=O)N(C2=O)CCNC4CC4)C5=CCCC=C5)NC6=C3C=C(C=C6)OC

DOS

IR

Vibrations