Geometry & MOs

Info

ID:	208409
PubChem CID:	80526909
Reduced:	OSN2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	291.140533
ΔH_f, kcal/mol:	-15.29
Dipole, Da:	4.21
IP(EA), eV:	-8.58(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(C)(C)C2=CC=CS2)N

DOS

IR

Vibrations