Geometry & MOs

Info

ID:	285259
PubChem CID:	104098861
Reduced:	SN5C9H13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	88.24
Dipole, Da:	4.9
IP(EA), eV:	-9.29(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[2-(triazol-1-yl)ethyl]pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CNCCN2C=CN=N2

DOS

IR

Vibrations