Geometry & MOs

Info

ID:	181670
PubChem CID:	76773546
Reduced:	ClO5H23C26 (1)
Stoich.:	AB5C23D26 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-123.16
Dipole, Da:	6.75
IP(EA), eV:	-8.95(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxy-4-methoxyphenyl)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]but-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=CC(=C1)C=CC(=O)CC2=CC=CC=C2COC3=CC(=CC=C3)Cl)OC

DOS

IR

Vibrations