Geometry & MOs

Info

ID:	209784
PubChem CID:	80722933
Reduced:	BrClON2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	234.173213
ΔH_f, kcal/mol:	-12.87
Dipole, Da:	4.59
IP(EA), eV:	-8.44(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-cyclopropyl-3-N-ethyl-5-propoxybenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1)NC2=C(C=C(C=C2)Br)Cl)N

DOS

IR

Vibrations