Geometry & MOs

Info

ID:	334282
PubChem CID:	127252834
Reduced:	N3O3H17C26 (1)
Stoich.:	A3B3C17D26 (1)
Weight, g/mol:	535.268236
ΔH_f, kcal/mol:	-4.01
Dipole, Da:	3.88
IP(EA), eV:	-8.85(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCN5C=NC6=CC=CC=C6C5=O

DOS

IR

Vibrations