Geometry & MOs

Info

ID:	65623
PubChem CID:	46386687
Reduced:	ON5C27H35 (1)
Stoich.:	AB5C27D35 (1)
Weight, g/mol:	453.252861
ΔH_f, kcal/mol:	1.23
Dipole, Da:	6.04
IP(EA), eV:	-8.32(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-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)NC3CCCCCC3)N4CCCCC4)C5=CC=CC=C5)C

DOS

IR

Vibrations