Geometry & MOs

Info

ID:	65622
PubChem CID:	46386686
Reduced:	ClON5C26H26 (1)
Stoich.:	ABC5D26E26 (1)
Weight, g/mol:	445.284161
ΔH_f, kcal/mol:	43.11
Dipole, Da:	5.71
IP(EA), eV:	-8.45(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-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)NC3=CC=CC=C3Cl)N4CCCCC4)C5=CC=CC=C5)C

DOS

IR

Vibrations