Geometry & MOs

Info

ID:	275096
PubChem CID:	103813774
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	237.15896
ΔH_f, kcal/mol:	16.51
Dipole, Da:	4.76
IP(EA), eV:	-8.43(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)CC2=CC=C(C=C2)N

DOS

IR

Vibrations