Geometry & MOs

Info

ID:	402446
PubChem CID:	135055996
Reduced:	BrFNO4C22H23 (1)
Stoich.:	ABCD4E22F23 (1)
Weight, g/mol:	382.204513
ΔH_f, kcal/mol:	-187.53
Dipole, Da:	2.74
IP(EA), eV:	-8.79(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(dimethylamino)phenyl]-1-methyl-3-[(E)-3-phenylprop-2-enyl]indol-2-one

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1([C@H](NC2=C1C=C(C=C2)F)C3=CC=C(C=C3)Br)C(=O)OC(C)C

DOS

IR

Vibrations