Geometry & MOs

Info

ID:	20145
PubChem CID:	580231
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	-50.37
Dipole, Da:	5.53
IP(EA), eV:	-9.22(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]but-2-ynyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(=O)N(C)CC#CCN1CCCC1CO

DOS

IR

Vibrations