Geometry & MOs

Info

ID:	33960
PubChem CID:	7889013
Reduced:	NOH5C6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-18.66
Dipole, Da:	4.4
IP(EA), eV:	-9.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C#N)OC(=O)C1=CNC2=CC=CC=C21

DOS

IR

Vibrations