Geometry & MOs

Info

ID:	415183
PubChem CID:	135088174
Reduced:	N5O5C28H33 (1)
Stoich.:	A5B5C28D33 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-82.55
Dipole, Da:	4.17
IP(EA), eV:	-8.39(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[6-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)N3C[C@@H]4CC[C@H]3CN(C4)CC5=C(C(=CC=C5)OC)OCC6=CN(CCO2)N=N6

DOS

IR

Vibrations