Geometry & MOs

Info

ID:	266663
PubChem CID:	103578272
Reduced:	OCl2N2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	-3.44
Dipole, Da:	6.05
IP(EA), eV:	-8.98(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)NC1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations