Geometry & MOs

Info

ID:	429784
PubChem CID:	135169836
Reduced:	ClOSF3N8H16C20 (1)
Stoich.:	ABCD3E8F16G20 (1)
Weight, g/mol:	224.046489
ΔH_f, kcal/mol:	-41.14
Dipole, Da:	3.8
IP(EA), eV:	-8.72(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-methoxy-4-(triazol-2-yl)aniline

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=C(C=C(C=N2)NC(=O)C3=C(N(N=C3)C4=CC=CC(=C4SN)N)C(F)(F)F)Cl

DOS

IR

Vibrations