Geometry & MOs

Info

ID:	240519
PubChem CID:	93581284
Reduced:	NO4C27H33 (1)
Stoich.:	AB4C27D33 (1)
Weight, g/mol:	435.240959
ΔH_f, kcal/mol:	-110.71
Dipole, Da:	4.34
IP(EA), eV:	-9.01(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-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=C(C=C2)C(C)(C)C)CC3=CC=CO3)O

DOS

IR

Vibrations