Geometry & MOs

Info

ID:	291537
PubChem CID:	113384811
Reduced:	BrNS2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	255.1293
ΔH_f, kcal/mol:	44.1
Dipole, Da:	1.98
IP(EA), eV:	-8.97(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(ethylaminomethyl)phenyl]sulfanyl-3-methoxypropan-2-ol

Drug info:

PubChemData

Smile

CCNCC1=CC=C(C=C1)SCC2=CC(=CS2)Br

DOS

IR

Vibrations