Geometry & MOs

Info

ID:	421381
PubChem CID:	135115897
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	13.44
Dipole, Da:	7.75
IP(EA), eV:	-9.35(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=NC=N1)CCNC(=O)C2=CC=CC=C2OCC3=CC=CC=C3

DOS

IR

Vibrations