Geometry & MOs

Info

ID:	328042
PubChem CID:	126691827
Reduced:	N3O3C34H41 (1)
Stoich.:	A3B3C34D41 (1)
Weight, g/mol:	145.029442
ΔH_f, kcal/mol:	-69.45
Dipole, Da:	7.45
IP(EA), eV:	-8.35(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(E)-1-chloroprop-1-enyl]iminopropanal

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CCCCC5)OC)C6=CC(=CC(=C6)C)C

DOS

IR

Vibrations