Geometry & MOs

Info

ID:	211406
PubChem CID:	80944910
Reduced:	ClN3C13H14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	300.114174
ΔH_f, kcal/mol:	34.67
Dipole, Da:	3.31
IP(EA), eV:	-8.97(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-(6-chloro-2-propan-2-ylpyrimidin-4-yl)anilino)propanenitrile

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)Cl)NC2=CC=CC(=C2)C

DOS

IR

Vibrations