Geometry & MOs

Info

ID:	162252
PubChem CID:	57394058
Reduced:	ON6C31H38 (1)
Stoich.:	AB6C31D38 (1)
Weight, g/mol:	374.100168
ΔH_f, kcal/mol:	46.62
Dipole, Da:	6.14
IP(EA), eV:	-8.8(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dihydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)CN(C2CCN(CC2)[C@H](C)CCNC(=O)C3=C(N=C(C=C3C)C#N)C)C4=CC=CC=C4

DOS

IR

Vibrations