Geometry & MOs

Info

ID:	426407
PubChem CID:	135143924
Reduced:	NO6C26H31 (1)
Stoich.:	AB6C26D31 (1)
Weight, g/mol:	510.236601
ΔH_f, kcal/mol:	-201.71
Dipole, Da:	2.83
IP(EA), eV:	-9.13(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2R)-3-(4-acetylpiperazin-1-yl)-2-hydroxypropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC[C@H](CN2CCCC2)O)C)C3=CC(=O)C4=C(O3)C=C(C=C4OC)OC

DOS

IR

Vibrations