Geometry & MOs

Info

ID:	446690
PubChem CID:	135276944
Reduced:	N9O11C27H51 (1)
Stoich.:	A9B11C27D51 (1)
Weight, g/mol:	211.23
ΔH_f, kcal/mol:	-481.71
Dipole, Da:	10.26
IP(EA), eV:	-8.99(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1-(3-methylbutan-2-yl)piperidine

Drug info:

PubChemData

Smile

CC(C(NC(CC1=CN=CN1)C(=O)NC[C@@H]2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)N)O)N)N)N)O)O)N

DOS

IR

Vibrations