Geometry & MOs

Info

ID:	240408
PubChem CID:	93578247
Reduced:	NO3C25H31 (1)
Stoich.:	AB3C25D31 (1)
Weight, g/mol:	371.155515
ΔH_f, kcal/mol:	-76.63
Dipole, Da:	2.45
IP(EA), eV:	-8.87(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[furan-2-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-3-(3-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@H](CN(CC2=CC=C(C=C2)C(C)C)CC3=CC=CO3)O

DOS

IR

Vibrations