Geometry & MOs

Info

ID:	325526
PubChem CID:	126683777
Reduced:	FON5H14C18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	377.231456
ΔH_f, kcal/mol:	57.78
Dipole, Da:	9.65
IP(EA), eV:	-9.49(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-methyl-3-(oxan-2-yloxy)piperidin-1-yl]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2=C(N=C3N2N=CC=C3)C(=O)N4CCC4)F)C#N

DOS

IR

Vibrations