Geometry & MOs

Info

ID:	432806
PubChem CID:	135172943
Reduced:	F2N8O13C50H62 (1)
Stoich.:	A2B8C13D50E62 (1)
Weight, g/mol:	281.30825
ΔH_f, kcal/mol:	-619.27
Dipole, Da:	15.4
IP(EA), eV:	-9.01(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-tridecan-6-ylpiperidine

Drug info:

Smile

C[C@@H](C(=O)N[C@@H](CCN([C@@H](C1=CC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)C(C)(C)C)C(=O)CO)C(=O)NCCC(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CN4C(=O)C=CC4=O

DOS

IR

Vibrations