Geometry & MOs

Info

ID:	65659
PubChem CID:	46386723
Reduced:	BrON4H15C20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	414.169191
ΔH_f, kcal/mol:	62.35
Dipole, Da:	3.9
IP(EA), eV:	-8.38(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations