Geometry & MOs

Info

ID:	307808
PubChem CID:	125309463
Reduced:	ClO2N4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-34.73
Dipole, Da:	3.45
IP(EA), eV:	-8.91(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-ethyl-3H-indole-2-carboxylate

Drug info:

PubChemData

Smile

COCCN1[C@H](CC2=C1C=CC(=C2)Cl)C(=O)NC3=NC=CN3

DOS

IR

Vibrations