Geometry & MOs

Info

ID:	298937
PubChem CID:	117664410
Reduced:	ON2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	382.178024
ΔH_f, kcal/mol:	1.4
Dipole, Da:	6.22
IP(EA), eV:	-8.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)NC=C3C4=CN=CC(=N4)OC5CCCNC5

DOS

IR

Vibrations