Geometry & MOs

Info

ID:	169520
PubChem CID:	75116624
Reduced:	ON8C30H32 (1)
Stoich.:	AB8C30D32 (1)
Weight, g/mol:	412.211055
ΔH_f, kcal/mol:	89.35
Dipole, Da:	7.31
IP(EA), eV:	-8.44(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(2,6-dimorpholin-4-yl-1,3-diazinan-4-ylidene)furan-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C1(CN(CCN1C)C(=O)NC2=CC=CC3=CC=CC=C32)C)NC4=NC=CC(=N4)N5C=NC6=CC=CC=C65

DOS

IR

Vibrations