Geometry & MOs

Info

ID:	163042
PubChem CID:	57581458
Reduced:	N2O5C30H30 (1)
Stoich.:	A2B5C30D30 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-109.38
Dipole, Da:	6.0
IP(EA), eV:	-8.58(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethoxy-3-propylphenyl)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=NC3=CC=CC=C3C(=C2)C4=CC(=CC=C4)OC)OCC

DOS

IR

Vibrations