Geometry & MOs

Info

ID:	280136
PubChem CID:	103847113
Reduced:	BrON4H11C13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	313.143784
ΔH_f, kcal/mol:	73.35
Dipole, Da:	5.06
IP(EA), eV:	-8.65(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(3-fluoro-4-nitroanilino)propyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CNC2=NC=CC3=C2C=CC=C3Br

DOS

IR

Vibrations