Geometry & MOs

Info

ID:	252578
PubChem CID:	103112442
Reduced:	OCl2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	-28.64
Dipole, Da:	6.12
IP(EA), eV:	-8.9(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-(2-methoxypropyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C(=NC2=C1C(=CC=C2)Cl)CCCl

DOS

IR

Vibrations