Geometry & MOs

Info

ID:	122997
PubChem CID:	50829688
Reduced:	OSN5C26H35 (1)
Stoich.:	ABC5D26E35 (1)
Weight, g/mol:	453.252861
ΔH_f, kcal/mol:	5.63
Dipole, Da:	7.8
IP(EA), eV:	-8.39(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCSCCCNC(=O)C1=NC2=C(C(=C(N2C3=CC=CC=C3)C)C)C(=N1)N4CCCCC4

DOS

IR

Vibrations