Geometry & MOs

Info

ID:	65626
PubChem CID:	46386690
Reduced:	ON5C26H33 (1)
Stoich.:	AB5C26D33 (1)
Weight, g/mol:	467.268511
ΔH_f, kcal/mol:	11.24
Dipole, Da:	6.32
IP(EA), eV:	-8.29(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-7-phenyl-N-(3-phenylpropyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=NC(=N2)C(=O)N3CCCCCC3)N4CCCCC4)C5=CC=CC=C5)C

DOS

IR

Vibrations