Geometry & MOs

Info

ID:	378247
PubChem CID:	134224323
Reduced:	N3H47C64 (1)
Stoich.:	A3B47C64 (1)
Weight, g/mol:	137.120449
ΔH_f, kcal/mol:	287.24
Dipole, Da:	2.52
IP(EA), eV:	-8.22(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)CN=C(C7=CC(=CC(=C7)C8=CC=CC=C8)C9=CC=CC=C9)N=C(C1=CC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)N

DOS

IR

Vibrations