Geometry & MOs

Info

ID:	140025
PubChem CID:	52633371
Reduced:	O2N5H23C26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	471.18821
ΔH_f, kcal/mol:	17.92
Dipole, Da:	4.51
IP(EA), eV:	-7.9(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methyl-4-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)NC(=O)CC3=C(NC(=NC3=O)C4=CC=NC=C4)C)C5=CC=CC=C51

DOS

IR

Vibrations