Geometry & MOs

Info

ID:	305838
PubChem CID:	124971323
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	346.157581
ΔH_f, kcal/mol:	-46.99
Dipole, Da:	6.38
IP(EA), eV:	-8.65(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)N2CCC[C@H]2C3=NC=C(O3)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations