Geometry & MOs

Info

ID:	254670
PubChem CID:	103126853
Reduced:	O3N6C12H16 (1)
Stoich.:	A3B6C12D16 (1)
Weight, g/mol:	280.153541
ΔH_f, kcal/mol:	-6.1
Dipole, Da:	6.83
IP(EA), eV:	-9.38(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(oxan-4-yl)-5-pyrrolidin-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2C(=C(N=N2)C(=O)OC)C3CCCN3

DOS

IR

Vibrations