Geometry & MOs

Info

ID:	292755
PubChem CID:	117358157
Reduced:	N2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	242.153147
ΔH_f, kcal/mol:	64.19
Dipole, Da:	4.55
IP(EA), eV:	-9.37(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-(triazol-1-yl)phenyl]cyclopentyl]methanamine

Drug info:

PubChemData

Smile

C1CCC(C1)(CN)C2=CC(=CC=C2)N3C=NC=N3

DOS

IR

Vibrations