Geometry & MOs

Info

ID:	147886
PubChem CID:	53787545
Reduced:	C5O5H8 (1)
Stoich.:	A5B5C8 (1)
Weight, g/mol:	325.240565
ΔH_f, kcal/mol:	-221.22
Dipole, Da:	3.67
IP(EA), eV:	-11.13(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(1R)-1-[di(propan-2-yl)amino]propyl]phenyl]-4-methylphenol

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)O)O

DOS

IR

Vibrations