Geometry & MOs

Info

ID:	196876
PubChem CID:	78889153
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	408.135304
ΔH_f, kcal/mol:	-95.3
Dipole, Da:	1.8
IP(EA), eV:	-8.93(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-(3-methylphenoxy)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=CC=CC=C2NC(=O)COC3CCCC3

DOS

IR

Vibrations