Geometry & MOs

Info

ID:	266734
PubChem CID:	103579236
Reduced:	BrNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	19.41
Dipole, Da:	3.7
IP(EA), eV:	-9.71(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-yl-1-propan-2-ylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C(C(=CC=C1)Br)C

DOS

IR

Vibrations