Geometry & MOs

Info

ID:	374265
PubChem CID:	131325978
Reduced:	NSO2F3H6C9 (1)
Stoich.:	ABC2D3E6F9 (1)
Weight, g/mol:	173.095297
ΔH_f, kcal/mol:	-204.64
Dipole, Da:	4.01
IP(EA), eV:	-8.73(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylpyridin-4-yl)-1H-pyrrol-3-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)OC(F)(F)F)O)N

DOS

IR

Vibrations