Geometry & MOs

Info

ID:	17375
PubChem CID:	494651
Reduced:	O4N5C10H13 (1)
Stoich.:	A4B5C10D13 (1)
Weight, g/mol:	267.096754
ΔH_f, kcal/mol:	-84.19
Dipole, Da:	7.16
IP(EA), eV:	-9.88(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-methyltetrazolo[1,5-c]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CN(C(=O)N2C1=NN=N2)[C@H]3C[C@@H]([C@H](O3)CO)O

DOS

IR

Vibrations