Geometry & MOs

Info

ID:	165388
PubChem CID:	74544836
Reduced:	BrON2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	370.211724
ΔH_f, kcal/mol:	-22.2
Dipole, Da:	4.89
IP(EA), eV:	-9.65(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-5-[2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations