Geometry & MOs

Info

ID:	165953
PubChem CID:	74618849
Reduced:	ClN3O4C20H28 (1)
Stoich.:	AB3C4D20E28 (1)
Weight, g/mol:	496.187733
ΔH_f, kcal/mol:	-196.78
Dipole, Da:	3.9
IP(EA), eV:	-9.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations