Geometry & MOs

Info

ID:	334909
PubChem CID:	127253715
Reduced:	NO5C24H25 (1)
Stoich.:	AB5C24D25 (1)
Weight, g/mol:	521.252586
ΔH_f, kcal/mol:	-122.18
Dipole, Da:	4.97
IP(EA), eV:	-9.07(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]propanamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)OC)NC(=O)C2=CC(=O)C(=CO2)OCC3=CC=CC=C3

DOS

IR

Vibrations