Geometry & MOs

Info

ID:	207275
PubChem CID:	80368811
Reduced:	N2O2C5H7 (2)
Stoich.:	A2B2C5D7 (2)
Weight, g/mol:	251.17461
ΔH_f, kcal/mol:	-131.7
Dipole, Da:	4.59
IP(EA), eV:	-10.24(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)C(=O)N2C[C@@H](C[C@H]2C(=O)O)O

DOS

IR

Vibrations