Geometry & MOs

Info

ID:	312595
PubChem CID:	126606727
Reduced:	PO3N9C37H38 (1)
Stoich.:	AB3C9D37E38 (1)
Weight, g/mol:	322.19328
ΔH_f, kcal/mol:	14.83
Dipole, Da:	3.33
IP(EA), eV:	-8.42(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z,6E)-6-ethylidene-2-methyl-5-propylidenecyclohexa-1,3-dien-1-yl]-2-phenyl-1,3-dioxane

Drug info:

PubChemData

Smile

CC(C)(C)/C(=C/C(=N\C(=O)NC1=CC=C(C2=CC=CC=C21)OC3=NC(=NC=C3)NC4=CC5=C(C=C4)NN=C5)/NC6=CC=C(C=C6)P(=O)(C)C)/N

DOS

IR

Vibrations