Geometry & MOs

Info

ID:	332904
PubChem CID:	127251328
Reduced:	FON6C25H25 (1)
Stoich.:	ABC6D25E25 (1)
Weight, g/mol:	427.180839
ΔH_f, kcal/mol:	21.17
Dipole, Da:	7.99
IP(EA), eV:	-8.69(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[(5-fluoropyridin-2-yl)amino]-6-methylpyridin-2-yl]pyrrolidin-1-yl]-isoquinolin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)CCN3C4=CC=CC=C4C=N3)NC5=NC=C(C=C5)F

DOS

IR

Vibrations