Geometry & MOs

Info

ID:	315339
PubChem CID:	126625646
Reduced:	O2C19H32 (1)
Stoich.:	A2B19C32 (1)
Weight, g/mol:	270.134383
ΔH_f, kcal/mol:	-123.68
Dipole, Da:	1.54
IP(EA), eV:	-8.99(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yl-6-[4-(trifluoromethyl)cyclohexen-1-yl]pyrimidine

Drug info:

PubChemData

Smile

CCCC(C)(C)OCC1=CC=CC=C1OC(C)(C)CCC

DOS

IR

Vibrations