Geometry & MOs

Info

ID:	297359
PubChem CID:	117615983
Reduced:	ClOF3N4C18H24 (1)
Stoich.:	ABC3D4E18F24 (1)
Weight, g/mol:	272.082874
ΔH_f, kcal/mol:	-162.62
Dipole, Da:	7.28
IP(EA), eV:	-9.16(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylphenyl]acetonitrile

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1Cl)C2=C(NN=C2)CN(C)CCNC)C(F)(F)F

DOS

IR

Vibrations