Geometry & MOs

Info

ID:	283133
PubChem CID:	103959627
Reduced:	NSO2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-33.67
Dipole, Da:	4.45
IP(EA), eV:	-8.57(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-[furan-2-ylmethyl(methyl)amino]phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1SC2=CC3=C(C=C2)OCCO3)N

DOS

IR

Vibrations