Geometry & MOs

Info

ID:	334106
PubChem CID:	127252658
Reduced:	N4O6C21H22 (1)
Stoich.:	A4B6C21D22 (1)
Weight, g/mol:	390.179087
ΔH_f, kcal/mol:	-62.56
Dipole, Da:	7.68
IP(EA), eV:	-9.66(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]1C3=CC=C(C(=O)N3C2)[N+](=O)[O-])C(=O)C4CC(=O)N(C4)CC5=CC=CO5

DOS

IR

Vibrations