Geometry & MOs

Info

ID:	325052
PubChem CID:	126679409
Reduced:	N5O12C22H43 (1)
Stoich.:	A5B12C22D43 (1)
Weight, g/mol:	287.298828
ΔH_f, kcal/mol:	-560.5
Dipole, Da:	7.17
IP(EA), eV:	-9.24(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-butyl-4-(2,2-dimethylpropyl)-6-fluoro-N,6-dimethylheptan-1-amine

Drug info:

PubChemData

Smile

C[C@H](C1[C@H]([C@@H](C([C@H](O1)O[C@@H]2C(C[C@H]([C@H](C2O[C@H]3[C@H](C([C@H](O3)CN)O)O)O)NC(=O)[C@H](CCN)O)N)N)O)O)O

DOS

IR

Vibrations