Geometry & MOs

Info

ID:	377991
PubChem CID:	134224058
Reduced:	N3H15C22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	124.09
Dipole, Da:	4.35
IP(EA), eV:	-8.84(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z,6E)-6-[1-[[(1Z)-buta-1,3-dienyl]-methylamino]ethylimino]-5-ethylidenecyclohexa-1,3-dien-1-ol

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)C3=NC4=C(C=CC5=C4N=CC=C5)C=C3)C=CC=N2

DOS

IR

Vibrations