Geometry & MOs

Info

ID:	211407
PubChem CID:	80945140
Reduced:	ClN4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	298.098524
ΔH_f, kcal/mol:	68.72
Dipole, Da:	3.53
IP(EA), eV:	-9.29(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=N1)Cl)N(CCC#N)C2=CC=CC=C2

DOS

IR

Vibrations