Geometry & MOs

Info

ID:	206082
PubChem CID:	80200287
Reduced:	ClFNOC16H21 (1)
Stoich.:	ABCDE16F21 (1)
Weight, g/mol:	286.067304
ΔH_f, kcal/mol:	-94.3
Dipole, Da:	1.95
IP(EA), eV:	-8.79(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-fluorophenyl)-isoquinolin-1-ylmethanamine

Drug info:

PubChemData

Smile

C1CCC(C1)(C(C2=C(C=C(C=C2)Cl)F)O)N3CCCC3

DOS

IR

Vibrations