Geometry & MOs

Info

ID:	189022
PubChem CID:	77804695
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	503.216869
ΔH_f, kcal/mol:	35.38
Dipole, Da:	3.5
IP(EA), eV:	-8.33(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-amino-1-oxo-3-pyrrolidin-1-ylpropan-2-yl)amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CC3CC2CN3C4=NC=C(C=N4)C(=O)NC

DOS

IR

Vibrations