Geometry & MOs

Info

ID:	172720
PubChem CID:	75543890
Reduced:	FN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-138.51
Dipole, Da:	8.59
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2-methylphenyl)methyl]-2,6-dioxo-1,3-diazinan-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCC(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations