Geometry & MOs

Info

ID:	300432
PubChem CID:	121280967
Reduced:	Cl2O2N3F4H17C19 (1)
Stoich.:	A2B2C3D4E17F19 (1)
Weight, g/mol:	412.257337
ΔH_f, kcal/mol:	-264.47
Dipole, Da:	6.07
IP(EA), eV:	-9.91(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(1-propoxycarbonylcyclohexyl)carbamoyloxy]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(CCC1F)(C(C2=NC(=CC=C2)Cl)NC(=O)C3=NC=CC(=C3Cl)C(F)(F)F)O

DOS

IR

Vibrations