Geometry & MOs

Info

ID:	254658
PubChem CID:	103126798
Reduced:	O2N6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	307.110296
ΔH_f, kcal/mol:	2.57
Dipole, Da:	2.54
IP(EA), eV:	-9.41(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-pyrrolidin-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C=NC=C1CN2C(=C(N=N2)C(=O)OC)C3CCCN3

DOS

IR

Vibrations