Geometry & MOs

Info

ID:	322166
PubChem CID:	126669041
Reduced:	INSO3C18H26 (1)
Stoich.:	ABCD3E18F26 (1)
Weight, g/mol:	273.266779
ΔH_f, kcal/mol:	-83.27
Dipole, Da:	2.84
IP(EA), eV:	-8.42(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[hydroxy(3-methylhexan-3-yl)amino]-3,5-dimethylheptan-3-ol

Drug info:

PubChemData

Smile

CCO/N=C/1\CCC2=C1C=CC(=C2)OCCC(C)(C)CCOSI

DOS

IR

Vibrations