Geometry & MOs

Info

ID:	150686
PubChem CID:	53790380
Reduced:	N3O9C31H31 (1)
Stoich.:	A3B9C31D31 (1)
Weight, g/mol:	410.24571
ΔH_f, kcal/mol:	-231.94
Dipole, Da:	6.99
IP(EA), eV:	-8.49(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-tert-butyl-3,5-diethoxyphenyl)-1-(4-propoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)CC(C(=O)ON3C(=CC=C3O)O)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations