Geometry & MOs

Info

ID:	297769
PubChem CID:	117629968
Reduced:	N3H19C20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	114.86
Dipole, Da:	3.22
IP(EA), eV:	-8.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-[(6-cyano-1,7-naphthyridin-8-yl)oxy]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C)C2=CC=C(C=C2)N=NC3=CC=CC=C3

DOS

IR

Vibrations