Geometry & MOs

Info

ID:	183944
PubChem CID:	77091826
Reduced:	N3C16H21 (1)
Stoich.:	A3B16C21 (1)
Weight, g/mol:	302.108899
ΔH_f, kcal/mol:	36.56
Dipole, Da:	1.9
IP(EA), eV:	-8.3(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclobutyl-6-methyl-2-(4-methylsulfonylphenyl)pyrimidine

Drug info:

PubChemData

Smile

CN1C[C@@H]2CN(C[C@@H]2C1)CC3=CC=CC4=C3NC=C4

DOS

IR

Vibrations