Geometry & MOs

Info

ID:	198379
PubChem CID:	79092363
Reduced:	FON4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	340.15141
ΔH_f, kcal/mol:	-25.0
Dipole, Da:	2.94
IP(EA), eV:	-9.21(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine

Drug info:

PubChemData

Smile

C1CN(C(CN1)C#N)C(=O)NC2=CC=C(C=C2)F

DOS

IR

Vibrations