Geometry & MOs

Info

ID:	182327
PubChem CID:	76875519
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-123.5
Dipole, Da:	1.48
IP(EA), eV:	-8.71(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3-methyl-2,6-dioxo-1,3-diazinan-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)CC(=O)NC2=CC=C(C=C2)C

DOS

IR

Vibrations