Geometry & MOs

Info

ID:	224272
PubChem CID:	85341026
Reduced:	N3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	273.078327
ΔH_f, kcal/mol:	61.93
Dipole, Da:	5.44
IP(EA), eV:	-9.03(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-6-methylpyrimidin-2-one

Drug info:

PubChemData

Smile

CC1CN(CC(N1)C)C2=NC(=NC=C2)N3C=C(N=C3)C

DOS

IR

Vibrations