Geometry & MOs

Info

ID:	309091
PubChem CID:	126536697
Reduced:	NH8C13 (4)
Stoich.:	AB8C13 (4)
Weight, g/mol:	149.084064
ΔH_f, kcal/mol:	276.65
Dipole, Da:	4.62
IP(EA), eV:	-8.78(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]formamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)C5=NC6=CC=CC=C6C(=N5)C7=C8C9=CC=CC=C9C1(C8=CC=C7)C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations