Geometry & MOs

Info

ID:	269927
PubChem CID:	103619920
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	332.00217
ΔH_f, kcal/mol:	-44.96
Dipole, Da:	3.76
IP(EA), eV:	-8.77(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-N-[(2-methylcyclopropyl)methyl]-4-nitroaniline

Drug info:

PubChemData

Smile

CC1CC1CNC2=NC=CC(=C2)C(=O)OC

DOS

IR

Vibrations