Geometry & MOs

Info

ID:	334637
PubChem CID:	127253312
Reduced:	N3O6C21H23 (1)
Stoich.:	A3B6C21D23 (1)
Weight, g/mol:	453.189986
ΔH_f, kcal/mol:	-163.57
Dipole, Da:	2.77
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-[2-(4-methoxyphenyl)-5-methyl-7-oxofuro[3,2-b]pyran-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCCN2C=CC=N2)C3=CC(=C(C=C3)O)OC)O

DOS

IR

Vibrations