Geometry & MOs

Info

ID:	445227
PubChem CID:	135265189
Reduced:	FOCl2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-62.71
Dipole, Da:	4.95
IP(EA), eV:	-9.38(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2,5-dimethylpyrimidin-4-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)F)CC(=O)C2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations