Geometry & MOs

Info

ID:	164446
PubChem CID:	74401074
Reduced:	NO7C27H31 (1)
Stoich.:	AB7C27D31 (1)
Weight, g/mol:	453.178752
ΔH_f, kcal/mol:	-191.68
Dipole, Da:	5.39
IP(EA), eV:	-8.51(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-hydroxy-3-methoxyphenyl)-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N-dimethyl-4-oxohex-5-enamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CC(C(=O)C=CC1=CC(=C(C=C1)OC)OC)C(=O)C=CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations