Geometry & MOs

Info

ID:	29211
PubChem CID:	832338
Reduced:	N2O3H16C18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-60.44
Dipole, Da:	1.99
IP(EA), eV:	-9.14(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(2,4-dimethylanilino)-2-oxoethyl]indole-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations