Geometry & MOs

Info

ID:	90073
PubChem CID:	49966172
Reduced:	N2O3C11H12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-102.31
Dipole, Da:	5.0
IP(EA), eV:	-9.14(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzoic acid

Drug info:

PubChemData

Smile

C1CNC(=O)N(C1)C2=CC=CC(=C2)C(=O)O

DOS

IR

Vibrations