Geometry & MOs

Info

ID:	121043
PubChem CID:	50754159
Reduced:	FN3O3H18C23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-32.3
Dipole, Da:	1.69
IP(EA), eV:	-8.92(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC2=CC=CC(=C2)C3=NOC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations