Geometry & MOs

Info

ID:	207678
PubChem CID:	80436841
Reduced:	ClIN2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	400.02032
ΔH_f, kcal/mol:	49.44
Dipole, Da:	2.19
IP(EA), eV:	-9.53(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-iodo-6-(2-methylpropyl)-2-(2-phenylethyl)pyrimidine

Drug info:

PubChemData

Smile

CC(C)CC1=C(C(=NC(=N1)CC2=CC=CC=C2)Cl)I

DOS

IR

Vibrations