Geometry & MOs

Info

ID:	423655
PubChem CID:	135119950
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	254.093439
ΔH_f, kcal/mol:	-23.25
Dipole, Da:	3.55
IP(EA), eV:	-8.89(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methylpyrimidin-4-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)CC3=NOC(=C3)C4CC4

DOS

IR

Vibrations