Geometry & MOs

Info

ID:	65621
PubChem CID:	46386685
Reduced:	OSN5C27H29 (1)
Stoich.:	ABC5D27E29 (1)
Weight, g/mol:	459.182588
ΔH_f, kcal/mol:	52.74
Dipole, Da:	5.62
IP(EA), eV:	-8.28(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-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)NCC3=CC=C(C=C3)SC)N4CCCC4)C5=CC=CC=C5)C

DOS

IR

Vibrations