Geometry & MOs

Info

ID:	222616
PubChem CID:	85305627
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	382.148849
ΔH_f, kcal/mol:	-28.88
Dipole, Da:	6.5
IP(EA), eV:	-9.64(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[4-(2-acetylhydrazinyl)-5-methyl-2-oxopyrimidin-1-yl]-3-acetyloxyoxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1CCC3C2=CCC4(C3CCC45C(O5)(C)C(=O)N=[N+]=[N-])C

DOS

IR

Vibrations