Geometry & MOs

Info

ID:	333477
PubChem CID:	127252029
Reduced:	N2O2C25H26 (1)
Stoich.:	A2B2C25D26 (1)
Weight, g/mol:	373.19026
ΔH_f, kcal/mol:	-17.02
Dipole, Da:	2.64
IP(EA), eV:	-8.89(-0.5)
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-phenylethanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC=C(C=C2)C3CCCCN3C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations