Geometry & MOs

Info

ID:	292754
PubChem CID:	117358153
Reduced:	N2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	242.153147
ΔH_f, kcal/mol:	89.99
Dipole, Da:	1.86
IP(EA), eV:	-9.42(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine

Drug info:

PubChemData

Smile

CC1=NN(N=C1)C2=CC=CC=C2C3(CC3)C(C)N

DOS

IR

Vibrations