Geometry & MOs

Info

ID:	228092
PubChem CID:	87563396
Reduced:	ClON4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	482.287341
ΔH_f, kcal/mol:	30.29
Dipole, Da:	6.4
IP(EA), eV:	-8.89(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-pyridin-2-yl-4-[5-[4-[[4-(trideuteriomethyl)piperazin-1-yl]methyl]phenyl]pyridin-3-yl]pyridin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CCN(C1=CC=CC(=C1)C)C(=O)C2=CC=C(C=C2)CNC3=CC(=NC=N3)Cl

DOS

IR

Vibrations