Geometry & MOs

Info

ID:	65633
PubChem CID:	46386697
Reduced:	FON5C27H28 (1)
Stoich.:	ABC5D27E28 (1)
Weight, g/mol:	491.188816
ΔH_f, kcal/mol:	-3.74
Dipole, Da:	8.18
IP(EA), eV:	-8.51(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations