Geometry & MOs

Info

ID:	65632
PubChem CID:	46386696
Reduced:	O2N5C26H29 (1)
Stoich.:	A2B5C26D29 (1)
Weight, g/mol:	457.227789
ΔH_f, kcal/mol:	7.61
Dipole, Da:	6.62
IP(EA), eV:	-8.37(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CNC(=O)C2=NC3=C(C(=C(N3C4=CC=CC=C4)C)C)C(=N2)N5CCCCC5

DOS

IR

Vibrations