Geometry & MOs

Info

ID:	188082
PubChem CID:	77666805
Reduced:	NSO4C23H31 (1)
Stoich.:	ABC4D23E31 (1)
Weight, g/mol:	221.12766
ΔH_f, kcal/mol:	-137.13
Dipole, Da:	1.77
IP(EA), eV:	-8.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-aminoethyl)-3-pyridin-3-yl-1,2,4-triazinan-5-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C=C(C)C2CC3C(CCCCCCC(=O)CC=CC(=O)O2)CO3

DOS

IR

Vibrations