Geometry & MOs

Info

ID:	297685
PubChem CID:	117625680
Reduced:	O3N4F6C30H36 (1)
Stoich.:	A3B4C6D30E36 (1)
Weight, g/mol:	229.204179
ΔH_f, kcal/mol:	-412.99
Dipole, Da:	4.0
IP(EA), eV:	-8.76(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

amino 2-(2,2-dimethylpropyl)-2,3,3-trimethylpentanoate

Drug info:

PubChemData

Smile

CCN(C1CCOCC1)C2=C(C=C(C=N2)N3CCCCC3)CN4[C@H]([C@H](OC4=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C

DOS

IR

Vibrations