Geometry & MOs

Info

ID:	333486
PubChem CID:	127252038
Reduced:	FN2O2C25H25 (1)
Stoich.:	AB2C2D25E25 (1)
Weight, g/mol:	389.185175
ΔH_f, kcal/mol:	-61.96
Dipole, Da:	1.56
IP(EA), eV:	-8.7(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(2-aminopyrimidin-5-yl)pyridin-3-yl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N2CCCCC2C3=CN=C(C=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations