Geometry & MOs

Info

ID:	448976
PubChem CID:	135294936
Reduced:	NC10H14 (2)
Stoich.:	AB10C14 (2)
Weight, g/mol:	426.267114
ΔH_f, kcal/mol:	50.68
Dipole, Da:	2.11
IP(EA), eV:	-8.46(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-3-methyl-2-[(Z)-1-(4-methylcyclohexa-1,5-dien-1-yl)-4-pyridin-2-ylbut-1-enyl]pyridine

Drug info:

PubChemData

Smile

C/C(=C\C=C/CC1CCNCC1)/C=C(/C2=CCC(=C)C=C2)\N

DOS

IR

Vibrations