Geometry & MOs

Info

ID:	252034
PubChem CID:	103108657
Reduced:	ClO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	281.173942
ΔH_f, kcal/mol:	-85.64
Dipole, Da:	9.4
IP(EA), eV:	-8.96(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(2-methylpropyl)-1-(oxan-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC(=O)NC1=CC(=CC=C1)Cl

DOS

IR

Vibrations