Geometry & MOs

Info

ID:	188645
PubChem CID:	77747478
Reduced:	ClO3N8C25H31 (1)
Stoich.:	AB3C8D25E31 (1)
Weight, g/mol:	335.173273
ΔH_f, kcal/mol:	-62.32
Dipole, Da:	5.3
IP(EA), eV:	-8.09(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-(2-methoxy-2-oxoethyl)phenoxy]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC(=NC3=C(C=NN23)C=C(C(=O)N)N)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations