Geometry & MOs

Info

ID:	175819
PubChem CID:	75952255
Reduced:	ClO7C22H27 (1)
Stoich.:	AB7C22D27 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-299.85
Dipole, Da:	3.21
IP(EA), eV:	-9.53(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-aminopyrimidin-5-yl)-N-[4-(1-benzoylpiperidin-4-yl)butyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC2C(CC1CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)Cl)C(=O)C=CO2

DOS

IR

Vibrations