Geometry & MOs

Info

ID:	279854
PubChem CID:	103845340
Reduced:	SN3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	206.153147
ΔH_f, kcal/mol:	71.15
Dipole, Da:	2.18
IP(EA), eV:	-9.02(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopenten-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1CC=C(C1)CCNCC2=CSC(=N2)C3=CC=CC=N3

DOS

IR

Vibrations