Geometry & MOs

Info

ID:	414861
PubChem CID:	135087833
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	358.175339
ΔH_f, kcal/mol:	-31.8
Dipole, Da:	2.66
IP(EA), eV:	-9.09(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C2CC(OC2=NC(=N1)C)CN3CCC(CC3)OCC4=CC=CC=N4

DOS

IR

Vibrations