Geometry & MOs

Info

ID:	70209
PubChem CID:	47211688
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	30.12
Dipole, Da:	1.77
IP(EA), eV:	-9.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]butanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NCC1=C(N=CC=C1)N2C=NC=N2

DOS

IR

Vibrations