Geometry & MOs

Info

ID:	136164
PubChem CID:	51988822
Reduced:	ClNO3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	300.196354
ΔH_f, kcal/mol:	-57.13
Dipole, Da:	5.99
IP(EA), eV:	-8.67(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-1-hydroxybutan-2-yl]-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC(=CC=C2)Cl)CNC[C@@H](C3=CC=CC=C3)O

DOS

IR

Vibrations