Geometry & MOs

Info

ID:	312543
PubChem CID:	126606372
Reduced:	O5C37H52 (1)
Stoich.:	A5B37C52 (1)
Weight, g/mol:	368.162374
ΔH_f, kcal/mol:	-264.7
Dipole, Da:	6.71
IP(EA), eV:	-8.94(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-2-(4-butoxyphenyl)-3-oxoprop-1-enyl]-3-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)C2=CC3=C(C=C(C=C3)OC(C)(C)CC(C)(C)OC(=O)C(CC(C)(C)C)C(C)(C)C)OC2=O

DOS

IR

Vibrations