Geometry & MOs

Info

ID:	209514
PubChem CID:	80682204
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	237.15896
ΔH_f, kcal/mol:	-21.72
Dipole, Da:	7.85
IP(EA), eV:	-9.38(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNCC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations