Geometry & MOs

Info

ID:	322971
PubChem CID:	126671661
Reduced:	ON2C16H27 (2)
Stoich.:	AB2C16D27 (2)
Weight, g/mol:	497.398128
ΔH_f, kcal/mol:	-120.68
Dipole, Da:	2.4
IP(EA), eV:	-8.8(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[2-(tert-butylamino)ethoxy]phenyl]-N-[2-(6-tert-butylpyridin-2-yl)oxyethyl]-2,5-dimethylhexan-2-amine

Drug info:

PubChemData

Smile

C[C@H](CNC(C)(C)C)OC1=NC=CC(=C1)C(C)(C)CCC(C)(C)NC[C@H](C)OC2=NC=CC(=C2)C(C)(C)C

DOS

IR

Vibrations