Geometry & MOs

Info

ID:	291909
PubChem CID:	113739208
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	270.082684
ΔH_f, kcal/mol:	-121.51
Dipole, Da:	1.49
IP(EA), eV:	-9.64(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-6-carbaldehyde

Drug info:

PubChemData

Smile

CCC1=NN(C=C1C(=O)NC(CC)(CC)C(=O)O)C

DOS

IR

Vibrations