Geometry & MOs

Info

ID:	22297
PubChem CID:	596554
Reduced:	O2N5C10H11 (1)
Stoich.:	A2B5C10D11 (1)
Weight, g/mol:	233.091275
ΔH_f, kcal/mol:	27.41
Dipole, Da:	5.48
IP(EA), eV:	-9.64(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-2-methyl-4-(1,2,4-triazol-4-yliminomethyl)pyridin-3-ol

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)C=NN2C=NN=C2)CO

DOS

IR

Vibrations