Geometry & MOs

Info

ID:	216601
PubChem CID:	85086484
Reduced:	BrON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	285.070933
ΔH_f, kcal/mol:	18.8
Dipole, Da:	3.34
IP(EA), eV:	-8.86(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(6-amino-5-nitropyrimidin-4-yl)amino]-3,4-dihydroxyoxolane-2-carbaldehyde

Drug info:

PubChemData

Smile

CN(C)CCC(C=NO)C1=CC=C(C=C1)Br

DOS

IR

Vibrations