Geometry & MOs

Info

ID:	47703
PubChem CID:	10534850
Reduced:	N2O2C7H8 (1)
Stoich.:	A2B2C7D8 (1)
Weight, g/mol:	152.094963
ΔH_f, kcal/mol:	-32.46
Dipole, Da:	3.35
IP(EA), eV:	-9.69(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-1-methylpyrrolidin-2-yl]-3-oxopropanenitrile

Drug info:

PubChemData

Smile

COC(=O)/C=C\C1=CC=NN1

DOS

IR

Vibrations