Geometry & MOs

Info

ID:	324208
PubChem CID:	126677143
Reduced:	ON2H24C29 (1)
Stoich.:	AB2C24D29 (1)
Weight, g/mol:	283.138385
ΔH_f, kcal/mol:	94.72
Dipole, Da:	6.79
IP(EA), eV:	-8.62(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(butoxymethyl)-4,4-difluoro-1,3-dihydroisoquinoline-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C5=CC=CC(=C5)CO

DOS

IR

Vibrations