Geometry & MOs

Info

ID:	313064
PubChem CID:	126611550
Reduced:	N3H15C19 (2)
Stoich.:	A3B15C19 (2)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	224.82
Dipole, Da:	4.14
IP(EA), eV:	-9.57(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5Z)-3-propan-2-yloxyocta-1,3,5,7-tetraene

Drug info:

PubChemData

Smile

C/C=C(\C=C/N=C)/C1=CC(=CC(=C1)C2=NC(=NC(=C2)C3=CC(=CC(=C3)C4=CC=NC=C4)C5=CC=NC=C5)C)C6=CC=NC=C6

DOS

IR

Vibrations