Geometry & MOs

Info

ID:	325521
PubChem CID:	126683764
Reduced:	O3N4H18C22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	386.142426
ΔH_f, kcal/mol:	48.15
Dipole, Da:	6.24
IP(EA), eV:	-8.32(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-carboxyoxyethyl hydrogen carbonate;dimethyl carbonate;dipropan-2-yl carbonate

Drug info:

PubChemData

Smile

CC1=NN2C=C(N=C2N=C1)C3=CC4=C(O3)C=C(C=C4OCC5=CC=CC=C5)OC

DOS

IR

Vibrations