Geometry & MOs

Info

ID:	269883
PubChem CID:	103619545
Reduced:	N2F3O3C13H13 (1)
Stoich.:	A2B3C3D13E13 (1)
Weight, g/mol:	375.04437
ΔH_f, kcal/mol:	-267.08
Dipole, Da:	4.23
IP(EA), eV:	-9.28(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-iodo-4-nitroaniline

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C(=O)NCCOCC(F)(F)F)NC1=O

DOS

IR

Vibrations