Geometry & MOs

Info

ID:	281351
PubChem CID:	103913745
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	-52.7
Dipole, Da:	4.21
IP(EA), eV:	-9.05(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-phenylethanamine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OCC#N)NCCCCCCO

DOS

IR

Vibrations