Geometry & MOs

Info

ID:	335181
PubChem CID:	127254042
Reduced:	O4N5C19H21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	456.226037
ΔH_f, kcal/mol:	-63.42
Dipole, Da:	3.67
IP(EA), eV:	-8.42(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C=NC4=C3N=CN=C4OC)OC

DOS

IR

Vibrations