Geometry & MOs

Info

ID:	426046
PubChem CID:	135135411
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	362.10089
ΔH_f, kcal/mol:	-29.43
Dipole, Da:	3.22
IP(EA), eV:	-8.68(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[2-chloro-6-(trifluoromethyl)pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](CN1CC2=CN=C(S2)NC(=O)C)CC3=CC(=NC(=C3)C)C

DOS

IR

Vibrations