Geometry & MOs

Info

ID:	423140
PubChem CID:	135118994
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-26.39
Dipole, Da:	5.13
IP(EA), eV:	-9.23(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-3-hydroxypiperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CC(=O)N[C@@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations