Geometry & MOs

Info

ID:	343744
PubChem CID:	127266920
Reduced:	FON5C16H20 (1)
Stoich.:	ABC5D16E20 (1)
Weight, g/mol:	334.236876
ΔH_f, kcal/mol:	-35.26
Dipole, Da:	4.24
IP(EA), eV:	-8.29(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C1CC(N(C1)CCC(=O)NC2=C(C=CC(=C2)N)F)C3=CNN=C3

DOS

IR

Vibrations