Geometry & MOs

Info

ID:	227802
PubChem CID:	87562528
Reduced:	NP2S2C76H157 (1)
Stoich.:	AB2C2D76E157 (1)
Weight, g/mol:	208.121178
ΔH_f, kcal/mol:	-485.8
Dipole, Da:	6.15
IP(EA), eV:	-8.82(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCP(=S)(CCCCCCCCCCCCCCCCCCC)NP(=S)(CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC

DOS

IR

Vibrations