Geometry & MOs

Info

ID:	441106
PubChem CID:	135233135
Reduced:	OSN7C26H31 (1)
Stoich.:	ABC7D26E31 (1)
Weight, g/mol:	299.224915
ΔH_f, kcal/mol:	132.93
Dipole, Da:	3.75
IP(EA), eV:	-8.08(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-5-(4-but-1-en-2-yl-5-methylidenecyclohexa-1,3-dien-1-yl)hex-1-enyl]propanamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN3C(C=CC2)N(N=C3SC4CCC=C5C(=C4)C=C(C=N5)N6CCOCC6)C

DOS

IR

Vibrations