Geometry & MOs

Info

ID:	284820
PubChem CID:	104072318
Reduced:	BrN3H12C16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	107.84
Dipole, Da:	10.17
IP(EA), eV:	-9.06(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Br)NC2=CC(=C(C=C2)C#N)C#N

DOS

IR

Vibrations