Geometry & MOs

Info

ID:	240528
PubChem CID:	93581322
Reduced:	NO4C27H27 (1)
Stoich.:	AB4C27D27 (1)
Weight, g/mol:	429.194008
ΔH_f, kcal/mol:	-70.03
Dipole, Da:	3.35
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-3-[furan-2-ylmethyl(naphthalen-1-ylmethyl)amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@@H](CN(CC2=CC=CC3=CC=CC=C32)CC4=CC=CO4)O

DOS

IR

Vibrations