Geometry & MOs

Info

ID:	449579
PubChem CID:	135299806
Reduced:	NOC11H20 (2)
Stoich.:	ABC11D20 (2)
Weight, g/mol:	240.162649
ΔH_f, kcal/mol:	-125.68
Dipole, Da:	4.19
IP(EA), eV:	-8.45(2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-4,6-di(propan-2-yl)pyrimidine

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1CN2CCC([C@@H]2CO1)CC(C)(C)[C@H]3CN4CCC[C@H]4CO3

DOS

IR

Vibrations