Geometry & MOs

Info

ID:	285343
PubChem CID:	104100264
Reduced:	ClN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	209.164046
ΔH_f, kcal/mol:	-142.15
Dipole, Da:	5.85
IP(EA), eV:	-9.82(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-N-[2-(triazol-1-yl)ethyl]pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC(C)(C(C)(C)O)NC(=O)CNC(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations