Geometry & MOs

Info

ID:	334315
PubChem CID:	127252867
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	466.210387
ΔH_f, kcal/mol:	-113.81
Dipole, Da:	6.03
IP(EA), eV:	-8.2(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C[C@@H]1CCCN2[C@@H]1CCCC2)C(=O)NC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations