Geometry & MOs

Info

ID:	1516
PubChem CID:	4629
Reduced:	ON2C11H19 (1)
Stoich.:	AB2C11D19 (1)
Weight, g/mol:	195.149738
ΔH_f, kcal/mol:	22.52
Dipole, Da:	3.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.776232
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CC#CCN1CCCC1=O

DOS

IR

Vibrations