Geometry & MOs

Info

ID:	65629
PubChem CID:	46386693
Reduced:	ClON5C27H28 (1)
Stoich.:	ABC5D27E28 (1)
Weight, g/mol:	453.252861
ΔH_f, kcal/mol:	34.05
Dipole, Da:	5.04
IP(EA), eV:	-8.43(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations