Geometry & MOs

Info

ID:	429313
PubChem CID:	135169282
Reduced:	ISN3H16C23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	229.121512
ΔH_f, kcal/mol:	135.9
Dipole, Da:	2.54
IP(EA), eV:	-8.91(-2.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yl-2-(pyridin-3-ylmethoxy)pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C(C=CN=C12)C3=CC=CC=C3)C4=CN(C5=C4C=CC=N5)SI

DOS

IR

Vibrations