Geometry & MOs

Info

ID:	383032
PubChem CID:	134974522
Reduced:	N3O5C11H17 (1)
Stoich.:	A3B5C11D17 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-175.86
Dipole, Da:	3.41
IP(EA), eV:	-9.91(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-4,4-bis(hydroxymethyl)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC(=O)OCC1(C[C@H]([C@H](C1)O)N=[N+]=[N-])COC(=O)C

DOS

IR

Vibrations