Geometry & MOs

Info

ID:	149726
PubChem CID:	53789401
Reduced:	O4C19H22 (2)
Stoich.:	A4B19C22 (2)
Weight, g/mol:	308.125988
ΔH_f, kcal/mol:	-291.22
Dipole, Da:	2.14
IP(EA), eV:	-9.29(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)oxybenzoate

Drug info:

PubChemData

Smile

CC(=C)CCC1(OC(=O)C(C(=O)O1)C2=CC3=C(C=C2)C=C(C=C3)C4C(=O)OC(OC4=O)(CCC(=C)C)CCC(=C)C)CCC(=C)C

DOS

IR

Vibrations