Geometry & MOs

Info

ID:	199246
PubChem CID:	79222525
Reduced:	SN2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	272.087101
ΔH_f, kcal/mol:	41.61
Dipole, Da:	3.17
IP(EA), eV:	-8.23(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanol

Drug info:

PubChemData

Smile

CCN(CC1CC2=CC=CC=C2S1)C3=CC=CC=C3N

DOS

IR

Vibrations