Geometry & MOs

Info

ID:	241061
PubChem CID:	93621485
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	326.185509
ΔH_f, kcal/mol:	12.36
Dipole, Da:	4.52
IP(EA), eV:	-9.16(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC=CC=N2)NC(=O)COC3=CC=CC(=C3)C#N

DOS

IR

Vibrations