Geometry & MOs

Info

ID:	186238
PubChem CID:	77408662
Reduced:	ClN2O2C22H39 (1)
Stoich.:	AB2C2D22E39 (1)
Weight, g/mol:	450.167853
ΔH_f, kcal/mol:	-157.38
Dipole, Da:	4.44
IP(EA), eV:	-8.98(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 4-[4-(4-methylidene-5-oxooxolan-2-yl)butoxy]benzoate

Drug info:

PubChemData

Smile

CC(CCC(=C)C1CCN(CC1(C)C)C(C(C)NC(=O)C2CCCC2)O)Cl

DOS

IR

Vibrations