Geometry & MOs

Info

ID:	320246
PubChem CID:	126658970
Reduced:	N2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	371.14339
ΔH_f, kcal/mol:	10.8
Dipole, Da:	3.17
IP(EA), eV:	-8.03(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-fluoro-4-isoquinolin-6-ylphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol

Drug info:

PubChemData

Smile

CCCN1CN(C2=CC=CC=C21)C(C)C

DOS

IR

Vibrations