Geometry & MOs

Info

ID:	252702
PubChem CID:	103113427
Reduced:	N2O4C9H16 (1)
Stoich.:	A2B4C9D16 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-194.97
Dipole, Da:	8.77
IP(EA), eV:	-10.01(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(6-methoxypyridin-2-yl)methyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)CC(=O)O

DOS

IR

Vibrations