Geometry & MOs

Info

ID:	245102
PubChem CID:	99437475
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	436.168145
ΔH_f, kcal/mol:	-38.52
Dipole, Da:	2.32
IP(EA), eV:	-8.45(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C2=CC=CC=C12)CC(=O)NC3=CC=C(C=C3)CN4CCC[C@@H](C4)C(=O)N

DOS

IR

Vibrations