Geometry & MOs

Info

ID:	65624
PubChem CID:	46386688
Reduced:	ON5C28H31 (1)
Stoich.:	AB5C28D31 (1)
Weight, g/mol:	453.252861
ΔH_f, kcal/mol:	36.69
Dipole, Da:	6.37
IP(EA), eV:	-8.41(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2=NC3=C(C(=C(N3C4=CC=CC=C4)C)C)C(=N2)N5CCCCC5

DOS

IR

Vibrations