Geometry & MOs

Info

ID:	334696
PubChem CID:	127253371
Reduced:	ClNO6C22H26 (1)
Stoich.:	ABC6D22E26 (1)
Weight, g/mol:	437.183838
ΔH_f, kcal/mol:	-233.67
Dipole, Da:	5.29
IP(EA), eV:	-8.78(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4CCC(CC4)O

DOS

IR

Vibrations