Geometry & MOs

Info

ID:	139280
PubChem CID:	52502163
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	171.124586
ΔH_f, kcal/mol:	-48.78
Dipole, Da:	3.17
IP(EA), eV:	-8.56(0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diaminomethylidene-(2-oxo-2-pyrrolidin-1-ylethyl)azanium

Drug info:

PubChemData

Smile

CCNC(=NC[C@H]1COC2=CC=CC=C2O1)NCC

DOS

IR

Vibrations