Geometry & MOs

Info

ID:	285329
PubChem CID:	104099052
Reduced:	F2O2N4C13H16 (1)
Stoich.:	A2B2C4D13E16 (1)
Weight, g/mol:	235.179696
ΔH_f, kcal/mol:	-99.95
Dipole, Da:	8.46
IP(EA), eV:	-9.29(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-5-methyl-N-[2-(triazol-1-yl)ethyl]pyrrolidin-3-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC(F)F)CNCCN2C=CN=N2

DOS

IR

Vibrations