Geometry & MOs

Info

ID:	212151
PubChem CID:	81059630
Reduced:	BrFON2C14H22 (1)
Stoich.:	ABCD2E14F22 (1)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	-76.9
Dipole, Da:	3.63
IP(EA), eV:	-9.27(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(2-ethoxyethyl)-5-methoxy-3-N-methylbenzene-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(CN)C1=CC(=C(C=C1)F)Br

DOS

IR

Vibrations