Geometry & MOs

Info

ID:	360292
PubChem CID:	127300935
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	382.191738
ΔH_f, kcal/mol:	-45.01
Dipole, Da:	5.06
IP(EA), eV:	-9.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)CCNC(=O)C3=CC=CS3

DOS

IR

Vibrations