Geometry & MOs

Info

ID:	207671
PubChem CID:	80436038
Reduced:	BrOSN2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	260.108026
ΔH_f, kcal/mol:	-7.9
Dipole, Da:	9.91
IP(EA), eV:	-9.33(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC(=O)C(=C(N2)CC(C)C)Br

DOS

IR

Vibrations