Geometry & MOs

Info

ID:	334039
PubChem CID:	127252591
Reduced:	N2O2C10H11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	404.194737
ΔH_f, kcal/mol:	-106.84
Dipole, Da:	6.37
IP(EA), eV:	-9.25(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CN=CC=C3)O

DOS

IR

Vibrations