Geometry & MOs

Info

ID:	319045
PubChem CID:	126654306
Reduced:	NSO3C14H31 (1)
Stoich.:	ABC3D14E31 (1)
Weight, g/mol:	277.240565
ΔH_f, kcal/mol:	-178.41
Dipole, Da:	7.21
IP(EA), eV:	-9.18(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(3,3-dimethylbutyl)phenoxy]ethyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)COCCCS(=O)(=O)CCNC(C)(C)C

DOS

IR

Vibrations