Geometry & MOs

Info

ID:	252654
PubChem CID:	103113010
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-23.02
Dipole, Da:	5.77
IP(EA), eV:	-8.27(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 5-methyl-1-(pyridin-3-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C(=C(C2=C(N=C(N=C21)C)N)C)C

DOS

IR

Vibrations