Geometry & MOs

Info

ID:	217657
PubChem CID:	85088172
Reduced:	NO2C26H27 (1)
Stoich.:	AB2C26D27 (1)
Weight, g/mol:	386.136553
ΔH_f, kcal/mol:	-6.34
Dipole, Da:	2.93
IP(EA), eV:	-8.82(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1COC(C1=O)C(CC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations