Geometry & MOs

Info

ID:	306157
PubChem CID:	125001804
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	-48.29
Dipole, Da:	6.68
IP(EA), eV:	-9.21(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CCCN1CCN([C@@H](C1=O)CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)CN4C=CC=NC4=O

DOS

IR

Vibrations