Geometry & MOs

Info

ID:	198402
PubChem CID:	79096857
Reduced:	ClON3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	248.13472
ΔH_f, kcal/mol:	-12.74
Dipole, Da:	2.9
IP(EA), eV:	-9.19(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[1-(2-thiophen-3-ylethyl)pyrrol-3-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)C(C1=CN(C=C1)CC2=NC=C(N2C)Cl)O

DOS

IR

Vibrations