Geometry & MOs

Info

ID:	252763
PubChem CID:	103113950
Reduced:	ON7C11H17 (1)
Stoich.:	AB7C11D17 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	18.55
Dipole, Da:	5.15
IP(EA), eV:	-8.71(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(oxan-4-yl)-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NC(=NC2=C1NC=N2)N

DOS

IR

Vibrations