Geometry & MOs

Info

ID:	164742
PubChem CID:	74446068
Reduced:	N2O2C21H27 (1)
Stoich.:	A2B2C21D27 (1)
Weight, g/mol:	393.156064
ΔH_f, kcal/mol:	-15.45
Dipole, Da:	5.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752152
Charge, e:	1

Chem-info

IUPAC name:

[3-[1-[(2,3-difluorophenyl)methyl]piperidin-1-ium-4-yl]pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C(=O)CC(C2=CC=CC=C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations