Geometry & MOs

Info

ID:	261281
PubChem CID:	103224951
Reduced:	NSO6C10H11 (1)
Stoich.:	ABC6D10E11 (1)
Weight, g/mol:	226.148141
ΔH_f, kcal/mol:	-136.25
Dipole, Da:	6.57
IP(EA), eV:	-9.4(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methylpropane-1,2-diamine

Drug info:

PubChemData

Smile

COCC(C(=O)O)S(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations