Geometry & MOs

Info

ID:	325080
PubChem CID:	126680351
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	117.034527
ΔH_f, kcal/mol:	19.15
Dipole, Da:	4.96
IP(EA), eV:	-8.67(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-chloropenta-1,3-dien-2-amine

Drug info:

PubChemData

Smile

CN1CC(C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)N5C=C(N=C5CO4)CN6CCOCC6

DOS

IR

Vibrations