Geometry & MOs

Info

ID:	310101
PubChem CID:	126574387
Reduced:	FN3O4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	403.01677
ΔH_f, kcal/mol:	-125.55
Dipole, Da:	9.64
IP(EA), eV:	-9.2(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-3-(4-bromo-7-nitro-1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=CC(=C2N1C)F)[N+](=O)[O-])CCC(=O)O.N

DOS

IR

Vibrations