Geometry & MOs

Info

ID:	181267
PubChem CID:	76725361
Reduced:	ClN3O3C32H36 (1)
Stoich.:	AB3C3D32E36 (1)
Weight, g/mol:	510.19215
ΔH_f, kcal/mol:	-89.14
Dipole, Da:	3.99
IP(EA), eV:	-9.41(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-oxochromene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(CC1)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations