Geometry & MOs

Info

ID:	205794
PubChem CID:	80158589
Reduced:	O2F3N3C13H18 (1)
Stoich.:	A2B3C3D13E18 (1)
Weight, g/mol:	290.106671
ΔH_f, kcal/mol:	-167.0
Dipole, Da:	2.27
IP(EA), eV:	-9.13(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluoro-4-nitrophenyl)methyl]-2-methoxy-5-methylaniline

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC(=C(C=C1)[N+](=O)[O-])NC)CC(F)(F)F

DOS

IR

Vibrations