Geometry & MOs

Info

ID:	65631
PubChem CID:	46386695
Reduced:	ON5C28H31 (1)
Stoich.:	AB5C28D31 (1)
Weight, g/mol:	443.232125
ΔH_f, kcal/mol:	37.63
Dipole, Da:	5.79
IP(EA), eV:	-8.43(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C2=NC3=C(C(=C(N3C4=CC=CC=C4)C)C)C(=N2)N5CCCCC5

DOS

IR

Vibrations