Geometry & MOs

Info

ID:	65615
PubChem CID:	46386679
Reduced:	OF3N5H24C26 (1)
Stoich.:	AB3C5D24E26 (1)
Weight, g/mol:	439.237211
ΔH_f, kcal/mol:	-106.67
Dipole, Da:	7.58
IP(EA), eV:	-8.61(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=NC(=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)N4CCCC4)C5=CC=CC=C5)C

DOS

IR

Vibrations