Geometry & MOs

Info

ID:	394717
PubChem CID:	135023611
Reduced:	N4F5O5H24C27 (1)
Stoich.:	A4B5C5D24E27 (1)
Weight, g/mol:	419.05209
ΔH_f, kcal/mol:	-328.19
Dipole, Da:	4.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.880288
Charge, e:	0

Chem-info

IUPAC name:

3-benzhydrylidene-7-bromo-4-methoxy-1-methylindol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1O)C(C3=[N+]4CCCC4=NN3C5=C(C(=C(C(=C5F)F)F)F)F)C(=O)OC

DOS

IR

Vibrations