Geometry & MOs

Info

ID:	33959
PubChem CID:	7889011
Reduced:	N2O4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	214.074228
ΔH_f, kcal/mol:	-101.63
Dipole, Da:	5.79
IP(EA), eV:	-9.14(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-cyanoethyl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CO1)OC(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations