Geometry & MOs

Info

ID:	375011
PubChem CID:	131465181
Reduced:	OSN2H4C9 (1)
Stoich.:	ABC2D4E9 (1)
Weight, g/mol:	234.092376
ΔH_f, kcal/mol:	65.47
Dipole, Da:	2.41
IP(EA), eV:	-9.38(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=O)C#N)SN=C2

DOS

IR

Vibrations