Geometry & MOs

Info

ID:	31373
PubChem CID:	855633
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	317.131031
ΔH_f, kcal/mol:	43.99
Dipole, Da:	7.58
IP(EA), eV:	-10.18(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)C2=CC(=CC=C2)N3C=NN=N3

DOS

IR

Vibrations