Geometry & MOs

Info

ID:	216584
PubChem CID:	85086455
Reduced:	OSeC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-49.91
Dipole, Da:	2.89
IP(EA), eV:	-8.2(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(piperidin-2-ylidenemethyl)pyrimidin-5-yl]methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1(CCCCC1C[Se]C2=CC=CC=C2)O

DOS

IR

Vibrations