Geometry & MOs

Info

ID:	149494
PubChem CID:	53789167
Reduced:	FO4C22H29 (1)
Stoich.:	AB4C22D29 (1)
Weight, g/mol:	345.209264
ΔH_f, kcal/mol:	-233.79
Dipole, Da:	8.17
IP(EA), eV:	-9.77(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-benzylphenoxy)ethyl]-N-ethyl-3-methylaniline

Drug info:

PubChemData

Smile

CC1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC(C2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O

DOS

IR

Vibrations