Geometry & MOs

Info

ID:	148709
PubChem CID:	53788378
Reduced:	ClN3O3C24H33 (1)
Stoich.:	AB3C3D24E33 (1)
Weight, g/mol:	382.214409
ΔH_f, kcal/mol:	-67.44
Dipole, Da:	4.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753046
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dipropoxyphenyl)-1-(4-propoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC[N+]1(CCN(CC1)C(=O)N(C)C2=CC=CC=C2)CC(COC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations