Geometry & MOs

Info

ID:	168649
PubChem CID:	74998208
Reduced:	NO2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	357.128448
ΔH_f, kcal/mol:	-35.91
Dipole, Da:	4.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.914410
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[NH+]1CC2=C(C=CC=C2C3C1CCC4=CC(=C(C=C34)O)O)C

DOS

IR

Vibrations