Geometry & MOs

Info

ID:	163501
PubChem CID:	58006346
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	294.069054
ΔH_f, kcal/mol:	-99.56
Dipole, Da:	3.56
IP(EA), eV:	-8.25(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-bis(4-chlorophenyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(CC1)N=C(C=C2)N3CCCC3

DOS

IR

Vibrations