Geometry & MOs

Info

ID:	141502
PubChem CID:	52884919
Reduced:	SN5C18H24 (1)
Stoich.:	AB5C18D24 (1)
Weight, g/mol:	375.08222
ΔH_f, kcal/mol:	65.02
Dipole, Da:	5.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.791472
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(2H-tetrazol-5-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=NC=NC(=C23)NC[C@H](C)C[N+]4=CNC=C4

DOS

IR

Vibrations