Geometry & MOs

Info

ID:	372092
PubChem CID:	131293120
Reduced:	ClOF2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	190.121846
ΔH_f, kcal/mol:	-144.29
Dipole, Da:	5.45
IP(EA), eV:	-9.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidin-6-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C(=O)C)Cl)C(F)F

DOS

IR

Vibrations