Geometry & MOs

Info

ID:	396368
PubChem CID:	135028220
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	343.154784
ΔH_f, kcal/mol:	-146.82
Dipole, Da:	3.8
IP(EA), eV:	-10.24(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butylphenyl)methyl]-6-(trifluoromethyl)quinoline

Drug info:

PubChemData

Smile

COC(=O)[C@@]12C[C@@H](C(=C)[C@@H]1CCOC2=O)C=C

DOS

IR

Vibrations