Geometry & MOs

Info

ID:	376018
PubChem CID:	134222018
Reduced:	NF4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	427.287515
ΔH_f, kcal/mol:	-171.31
Dipole, Da:	3.22
IP(EA), eV:	-9.28(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-7-methyl-5-(4-methylphenyl)-6-[1-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-quinoline

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(/C=C/C2=CC(=C(C=C2)CN)F)C(F)(F)F)C

DOS

IR

Vibrations