Geometry & MOs

Info

ID:	373283
PubChem CID:	131312681
Reduced:	SN3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	233.098669
ΔH_f, kcal/mol:	51.28
Dipole, Da:	2.36
IP(EA), eV:	-8.4(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-methylsulfanyl-3-(pyridin-2-ylmethyl)pyrrol-2-amine

Drug info:

PubChemData

Smile

CN1C(=CC(=C1CC2=CC=NC=C2)SC)N

DOS

IR

Vibrations