Geometry & MOs

Info

ID:	298953
PubChem CID:	117664440
Reduced:	O4C23H26 (1)
Stoich.:	A4B23C26 (1)
Weight, g/mol:	312.136159
ΔH_f, kcal/mol:	-130.98
Dipole, Da:	5.24
IP(EA), eV:	-9.05(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dimethoxy-6-[(E)-2-phenylprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=C/C2=CC(=C(C(=C2C(=O)OC)O)CCC(=C)C)OC

DOS

IR

Vibrations