Geometry & MOs

Info

ID:	23510
PubChem CID:	604287
Reduced:	ClN2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	322.10842
ΔH_f, kcal/mol:	-131.7
Dipole, Da:	3.88
IP(EA), eV:	-8.25(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-(3-chloropropanoylamino)-3,5-dimethyl-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C(=CC(=C2)C)NC(=O)CCCl)C

DOS

IR

Vibrations