Geometry & MOs

Info

ID:	65612
PubChem CID:	46386676
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	463.177503
ΔH_f, kcal/mol:	-79.96
Dipole, Da:	7.27
IP(EA), eV:	-9.15(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CNC2=C3C(=NOC3=NC(=N2)CCC(=O)OCC)C

DOS

IR

Vibrations