Geometry & MOs

Info

ID:	399565
PubChem CID:	135040936
Reduced:	NO4C12H21 (1)
Stoich.:	AB4C12D21 (1)
Weight, g/mol:	238.081622
ΔH_f, kcal/mol:	-190.78
Dipole, Da:	3.58
IP(EA), eV:	-10.15(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(2-methylnaphthalen-1-yl)thiophene

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OC)NC(=O)C(C=C)C(C)O

DOS

IR

Vibrations