Geometry & MOs

Info

ID:	207677
PubChem CID:	80436778
Reduced:	BrCl2N2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	386.00467
ΔH_f, kcal/mol:	25.73
Dipole, Da:	2.78
IP(EA), eV:	-9.48(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations