Geometry & MOs

Info

ID:	184327
PubChem CID:	77145771
Reduced:	N3O5H23C27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	396.23006
ΔH_f, kcal/mol:	-18.12
Dipole, Da:	7.98
IP(EA), eV:	-8.13(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-decoxy-6-hydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC(=CC=C2C=C(N(N2)C(=O)C3=CC=NC=C3)C=CC4=CC(=C(C=C4)O)OC)C=CC1=O

DOS

IR

Vibrations