Geometry & MOs

Info

ID:	172326
PubChem CID:	75497047
Reduced:	ClOSF3N3C18H23 (1)
Stoich.:	ABCD3E3F18G23 (1)
Weight, g/mol:	336.277678
ΔH_f, kcal/mol:	-199.02
Dipole, Da:	6.86
IP(EA), eV:	-8.78(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(CSC1)N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations