Geometry & MOs

Info

ID:	407261
PubChem CID:	135079683
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	258.082684
ΔH_f, kcal/mol:	20.78
Dipole, Da:	3.44
IP(EA), eV:	-8.79(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-N-(3-thiophen-2-ylprop-2-ynyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)N(C)CC#CC2=CC=C(C=C2)OC

DOS

IR

Vibrations