Geometry & MOs

Info

ID:	396776
PubChem CID:	135029183
Reduced:	H9C13 (6)
Stoich.:	A9B13 (6)
Weight, g/mol:	217.97648
ΔH_f, kcal/mol:	287.13
Dipole, Da:	0.95
IP(EA), eV:	-8.31(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-methyl-5-propylthiophene

Drug info:

Smile

CC1=C(C(=C(C(=C1C2=CC3=C4C(=C2)C=CC5=CC(=CC(=C54)C=C3)C6=C(C(=C(C(=C6C)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations