Geometry & MOs

Info

ID:	15858
PubChem CID:	453767
Reduced:	N4O5C10H16 (1)
Stoich.:	A4B5C10D16 (1)
Weight, g/mol:	272.11207
ΔH_f, kcal/mol:	-186.21
Dipole, Da:	5.11
IP(EA), eV:	-8.5(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N)N

DOS

IR

Vibrations