Geometry & MOs

Info

ID:	66017
PubChem CID:	46488131
Reduced:	NOF3C18H24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	403.01677
ΔH_f, kcal/mol:	-230.84
Dipole, Da:	7.14
IP(EA), eV:	-9.41(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-methylindole-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C)NC(=O)C2CCCC(C2)C(F)(F)F

DOS

IR

Vibrations