Geometry & MOs

Info

ID:	336480
PubChem CID:	127255487
Reduced:	ClNO2F3C9H9 (1)
Stoich.:	ABC2D3E9F9 (1)
Weight, g/mol:	264.02621
ΔH_f, kcal/mol:	-255.9
Dipole, Da:	2.03
IP(EA), eV:	-10.32(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-propan-2-ylisoquinolin-3-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C(=O)O)N)C(F)(F)F.Cl

DOS

IR

Vibrations