Geometry & MOs

Info

ID:	336189
PubChem CID:	127255196
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	386.122634
ΔH_f, kcal/mol:	-36.9
Dipole, Da:	5.22
IP(EA), eV:	-8.44(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-dimethyl-2-oxoimidazol-4-yl]benzoic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)NC(=O)CCCN3C=CC=C3)N(C1=O)C

DOS

IR

Vibrations