Geometry & MOs

Info

ID:	423393
PubChem CID:	135119417
Reduced:	F3O3N4C14H17 (1)
Stoich.:	A3B3C4D14E17 (1)
Weight, g/mol:	340.201159
ΔH_f, kcal/mol:	-160.45
Dipole, Da:	7.42
IP(EA), eV:	-9.66(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)CC3=NC(=NO3)C(F)(F)F

DOS

IR

Vibrations