Geometry & MOs

Info

ID:	57660
PubChem CID:	22431041
Reduced:	ClN3O3H20C25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	370.10842
ΔH_f, kcal/mol:	-56.08
Dipole, Da:	6.98
IP(EA), eV:	-8.23(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-[2-[(4-ethylphenyl)methylamino]-2-oxoethyl]-1H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)NC(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O)C5=CC=CC=C51

DOS

IR

Vibrations