Geometry & MOs

Info

ID:	242447
PubChem CID:	96100127
Reduced:	SO2N5C13H17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	302.149124
ΔH_f, kcal/mol:	-11.28
Dipole, Da:	3.27
IP(EA), eV:	-9.22(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@H]2CN(CCO2)C(=O)CCC3=CSC=N3

DOS

IR

Vibrations