Geometry & MOs

Info

ID:	152129
PubChem CID:	56310993
Reduced:	SN3O3C25H27 (1)
Stoich.:	AB3C3D25E27 (1)
Weight, g/mol:	464.278741
ΔH_f, kcal/mol:	-53.9
Dipole, Da:	4.04
IP(EA), eV:	-8.95(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations