Geometry & MOs

Info

ID:	434989
PubChem CID:	135176156
Reduced:	NOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	468.371579
ΔH_f, kcal/mol:	-52.23
Dipole, Da:	2.55
IP(EA), eV:	-9.51(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-[5-[2-(dimethylamino)ethoxy]-2-propan-2-ylphenyl]hexan-2-yl]-3-propan-2-ylphenoxy]ethanamine

Drug info:

PubChemData

Smile

CC(C)C(=O)/C=C/C(C)(C)N

DOS

IR

Vibrations