Geometry & MOs

Info

ID:	281239
PubChem CID:	103911575
Reduced:	ClO2N5C11H12 (1)
Stoich.:	AB2C5D11E12 (1)
Weight, g/mol:	294.112819
ΔH_f, kcal/mol:	53.95
Dipole, Da:	4.23
IP(EA), eV:	-9.56(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-(3-imidazol-1-ylpropyl)-5-methoxy-4-nitroaniline

Drug info:

PubChemData

Smile

C1=CN(C=N1)CCCNC2=NC(=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations