Geometry & MOs

Info

ID:	401078
PubChem CID:	135050036
Reduced:	CrNC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	386.227952
ΔH_f, kcal/mol:	121.02
Dipole, Da:	1.99
IP(EA), eV:	-7.37(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-octyl-4-phenyl-2-propan-2-ylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=[Cr])N=CC1=CC=CC=C1

DOS

IR

Vibrations