Geometry & MOs

Info

ID:	65627
PubChem CID:	46386691
Reduced:	ON5C29H33 (1)
Stoich.:	AB5C29D33 (1)
Weight, g/mol:	453.252861
ΔH_f, kcal/mol:	39.71
Dipole, Da:	5.78
IP(EA), eV:	-8.35(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=NC(=N2)C(=O)NCCCC3=CC=CC=C3)N4CCCCC4)C5=CC=CC=C5)C

DOS

IR

Vibrations