Geometry & MOs

Info

ID:	201772
PubChem CID:	79580519
Reduced:	NSO4C10H17 (1)
Stoich.:	ABC4D10E17 (1)
Weight, g/mol:	294.057134
ΔH_f, kcal/mol:	-187.04
Dipole, Da:	7.38
IP(EA), eV:	-9.83(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2-nitrophenyl)methyl]-3-fluoro-5-methylaniline

Drug info:

PubChemData

Smile

CC1CN(S(=O)(=O)C1)C2CCC(C2)C(=O)O

DOS

IR

Vibrations