Geometry & MOs

Info

ID:	32027
PubChem CID:	4253510
Reduced:	N2O5H22C33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	446.216535
ΔH_f, kcal/mol:	91.55
Dipole, Da:	2.85
IP(EA), eV:	-8.63(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-(4-ethoxycarbonylpiperazin-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2C(C3(C4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=CC(=CC=C7)[N+](=O)[O-]

DOS

IR

Vibrations