Geometry & MOs

Info

ID:	173224
PubChem CID:	75611611
Reduced:	ON2F9H9C15 (1)
Stoich.:	AB2C9D9E15 (1)
Weight, g/mol:	387.154269
ΔH_f, kcal/mol:	-410.92
Dipole, Da:	7.11
IP(EA), eV:	-10.04(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-azido-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N=C2C=C1C)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations