Geometry & MOs

Info

ID:	228185
PubChem CID:	87563615
Reduced:	N2O2F4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	383.100081
ΔH_f, kcal/mol:	-263.48
Dipole, Da:	3.32
IP(EA), eV:	-9.6(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-chloro-4-(2,4-difluorophenyl)pyridin-3-yl]methyl]-1H-isoquinolin-5-amine

Drug info:

PubChemData

Smile

C1CN(CC1N)C(=O)C2=CC=CC=C2OC(C(F)F)(F)F

DOS

IR

Vibrations