Geometry & MOs

Info

ID:	191917
PubChem CID:	78200627
Reduced:	N3O4H21C23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	440.183503
ΔH_f, kcal/mol:	-13.36
Dipole, Da:	5.9
IP(EA), eV:	-9.13(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2C(NC(=O)NC2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations