Geometry & MOs

Info

ID:	425396
PubChem CID:	135126184
Reduced:	ON2C26H30 (1)
Stoich.:	AB2C26D30 (1)
Weight, g/mol:	482.241687
ΔH_f, kcal/mol:	-4.78
Dipole, Da:	3.03
IP(EA), eV:	-8.53(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one

Drug info:

PubChemData

Smile

CCCN1CCC2(CCC3=C(O2)C=CC(=C3)C4=CC5=CC=CC(=C5N=C4)C)CC1

DOS

IR

Vibrations