Geometry & MOs

Info

ID:	254813
PubChem CID:	103127907
Reduced:	ClSN3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	289.078203
ΔH_f, kcal/mol:	87.72
Dipole, Da:	3.19
IP(EA), eV:	-8.82(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=C(S1)Cl)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations