Geometry & MOs

Info

ID:	65656
PubChem CID:	46386720
Reduced:	BrON4H15C20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	400.153541
ΔH_f, kcal/mol:	62.74
Dipole, Da:	6.53
IP(EA), eV:	-8.33(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2-pyridin-3-yl-1H-indol-3-yl)carbamoylamino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(N2)C3=CN=CC=C3)NC(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations