Geometry & MOs

Info

ID:	240521
PubChem CID:	93581293
Reduced:	NO4C24H27 (1)
Stoich.:	AB4C24D27 (1)
Weight, g/mol:	413.139386
ΔH_f, kcal/mol:	-98.03
Dipole, Da:	3.22
IP(EA), eV:	-9.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R)-3-[(3-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC2=CC=CO2)C[C@H](COC3=CC=CC=C3C(=O)C)O

DOS

IR

Vibrations