Geometry & MOs

Info

ID:	160923
PubChem CID:	57390254
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	291.148396
ΔH_f, kcal/mol:	-112.01
Dipole, Da:	9.93
IP(EA), eV:	-8.45(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(tert-butylamino)imidazo[1,2-a]pyrimidin-3-yl]benzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=NC(=N1)NCCCN2C3=C(CCCC3)C4=C2C=CC(=C4)C(=O)O)OC

DOS

IR

Vibrations