Geometry & MOs

Info

ID:	126154
PubChem CID:	50953563
Reduced:	ON6C18H18 (1)
Stoich.:	AB6C18D18 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	76.69
Dipole, Da:	5.78
IP(EA), eV:	-10.02(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[2-[3-(propanoylamino)phenoxy]acetyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC(=NC=C2)C3=CC=NC=C3)C(=O)CN4C=NC=N4

DOS

IR

Vibrations