Geometry & MOs

Info

ID:	174674
PubChem CID:	75805788
Reduced:	O2N6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	317.197751
ΔH_f, kcal/mol:	31.23
Dipole, Da:	8.99
IP(EA), eV:	-9.48(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=NN=N2)NC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4

DOS

IR

Vibrations