Geometry & MOs

Info

ID:	182640
PubChem CID:	76916912
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	284.148455
ΔH_f, kcal/mol:	-30.91
Dipole, Da:	3.62
IP(EA), eV:	-8.94(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[(3,5-dioxo-1,2,4-triazinan-6-yl)amino]methyl]cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC=CC(=C1)C(=NO)N)N(C)C

DOS

IR

Vibrations