Geometry & MOs

Info

ID:	122993
PubChem CID:	50829629
Reduced:	ClON5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	459.182588
ΔH_f, kcal/mol:	11.82
Dipole, Da:	7.31
IP(EA), eV:	-8.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)C1=NC2=C(C(=C(N2C3=CC(=CC=C3)Cl)C)C)C(=N1)N4CCCC4

DOS

IR

Vibrations