Geometry & MOs

Info

ID:	440108
PubChem CID:	135230008
Reduced:	F4N5O9C41H43 (1)
Stoich.:	A4B5C9D41E43 (1)
Weight, g/mol:	227.2613
ΔH_f, kcal/mol:	-530.42
Dipole, Da:	5.94
IP(EA), eV:	-9.26(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-4,5,6-trimethyloctan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=O)N1C)C)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=C(C=C3F)CN(CC4=CC(=C(C(=C4)F)C(=O)NCC(=O)O)F)C(=O)CCC(C)(C)C)F

DOS

IR

Vibrations