Geometry & MOs

Info

ID:	150843
PubChem CID:	53790539
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	386.206639
ΔH_f, kcal/mol:	-50.85
Dipole, Da:	1.93
IP(EA), eV:	-8.83(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[5-oxo-1-(2-phenylpropan-2-ylcarbamoyl)-3-pyrrolidin-1-yl-1,2,4-triazol-4-yl]methanimidate

Drug info:

PubChemData

Smile

COC(=O)CNOCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations