Geometry & MOs

Info

ID:	13971
PubChem CID:	401212
Reduced:	N2O3C8H13 (2)
Stoich.:	A2B3C8D13 (2)
Weight, g/mol:	370.185235
ΔH_f, kcal/mol:	-242.51
Dipole, Da:	7.35
IP(EA), eV:	-9.22(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(3-morpholin-4-ylpropylamino)pyrimidin-2-one

Drug info:

PubChemData

Smile

C1COCCN1CCCNC2=NC(=O)N(C=C2)C3C(C(C(O3)CO)O)O

DOS

IR

Vibrations