Geometry & MOs

Info

ID:	307875
PubChem CID:	125310354
Reduced:	N4O4C33H38 (1)
Stoich.:	A4B4C33D38 (1)
Weight, g/mol:	144.053492
ΔH_f, kcal/mol:	-45.36
Dipole, Da:	4.88
IP(EA), eV:	-7.75(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-4-oxo-1,3-diazinane-5-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CC2=C3C=CC=CC3=N[C@H]2[C@@H](N1)C4=CC(=C(C=C4)OC)CN5CCN(CC5)C6=CC=CC=C6OC

DOS

IR

Vibrations