Geometry & MOs

Info

ID:	325828
PubChem CID:	126685172
Reduced:	NH20C22 (2)
Stoich.:	AB20C22 (2)
Weight, g/mol:	195.108171
ΔH_f, kcal/mol:	115.49
Dipole, Da:	1.35
IP(EA), eV:	-8.13(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-but-1-enyl]-4-(2-methylpropyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7N6C8=CC=CC(=C8)C(C)(C)C

DOS

IR

Vibrations