Geometry & MOs

Info

ID:	240518
PubChem CID:	93581277
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	435.240959
ΔH_f, kcal/mol:	-116.57
Dipole, Da:	6.18
IP(EA), eV:	-9.1(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R)-3-[(4-tert-butylphenyl)methyl-(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@H](CN(CC2=CC=CO2)CC3=CC=CO3)O

DOS

IR

Vibrations