Geometry & MOs

Info

ID:	43485
PubChem CID:	10321373
Reduced:	OCl2F3N4C19H19 (1)
Stoich.:	AB2C3D4E19F19 (1)
Weight, g/mol:	446.06299
ΔH_f, kcal/mol:	-170.1
Dipole, Da:	3.18
IP(EA), eV:	-9.55(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 6-bromo-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations