Geometry & MOs

Info

ID:	271594
PubChem CID:	103685217
Reduced:	ON2S2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	259.103085
ΔH_f, kcal/mol:	-5.32
Dipole, Da:	2.1
IP(EA), eV:	-8.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-phenylprop-2-enyl]amino]-1-thiophen-3-ylethanol

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CNCC(C2=CSC=C2)O

DOS

IR

Vibrations