Geometry & MOs

Info

ID:	73679
PubChem CID:	48419993
Reduced:	BrO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	314.143056
ΔH_f, kcal/mol:	-37.51
Dipole, Da:	3.28
IP(EA), eV:	-8.36(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydroindol-1-yl)-N-(3-fluoro-4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Br)C(=O)NC2=CC=C(C=C2)OC(C)C)C

DOS

IR

Vibrations