Geometry & MOs

Info

ID:	436321
PubChem CID:	135198899
Reduced:	N3H39C55 (1)
Stoich.:	A3B39C55 (1)
Weight, g/mol:	149.120449
ΔH_f, kcal/mol:	243.97
Dipole, Da:	3.41
IP(EA), eV:	-7.86(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2Z)-3-ethenyl-4-methylpenta-2,4-dien-2-yl]ethanimine

Drug info:

PubChemData

Smile

C1CC(=CC2=C1C=CC3=C2C=CC(=C3)C4C=CC5=C(N4)C6=C(C=C5)C=CC(=N6)C7=CC=CC=C7)C8=CC(=CC=C8)C9=NC1CC=CC=C1C1=C9C=CC2=CC=CC=C21

DOS

IR

Vibrations