Geometry & MOs

Info

ID:	187345
PubChem CID:	77561711
Reduced:	O3C4H5 (2)
Stoich.:	A3B4C5 (2)
Weight, g/mol:	462.251858
ΔH_f, kcal/mol:	-242.76
Dipole, Da:	6.1
IP(EA), eV:	-10.08(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-(1-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)OC1C2CCOC1(C(=O)O2)O

DOS

IR

Vibrations