Geometry & MOs

Info

ID:	404982
PubChem CID:	135071992
Reduced:	OC21H24 (1)
Stoich.:	AB21C24 (1)
Weight, g/mol:	444.157288
ΔH_f, kcal/mol:	-3.39
Dipole, Da:	1.32
IP(EA), eV:	-9.02(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[4-hydroxy-3-methoxy-5-[2-(4-methoxy-3-phenylmethoxyphenyl)ethynyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1CCC(=CC1)CC(CO)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations