Geometry & MOs

Info

ID:	264297
PubChem CID:	103451038
Reduced:	OF2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	202.110613
ΔH_f, kcal/mol:	-110.77
Dipole, Da:	3.75
IP(EA), eV:	-10.0(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylcyclohexen-1-yl)-pyrimidin-5-ylmethanone

Drug info:

PubChemData

Smile

CC1CCC(=CC1)C(=O)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations