Geometry & MOs

Info

ID:	156042
PubChem CID:	56368887
Reduced:	ClO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	481.257671
ΔH_f, kcal/mol:	-62.69
Dipole, Da:	7.62
IP(EA), eV:	-9.1(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCCC(=O)NC2=CC(=C(C=C2)N3C=CN=C3)Cl

DOS

IR

Vibrations