Geometry & MOs

Info

ID:	65617
PubChem CID:	46386681
Reduced:	FON5H24C25 (1)
Stoich.:	ABC5D24E25 (1)
Weight, g/mol:	439.237211
ΔH_f, kcal/mol:	8.61
Dipole, Da:	7.66
IP(EA), eV:	-8.54(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-N-[(4-methylphenyl)methyl]-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=C(C=C3)F)N4CCCC4)C5=CC=CC=C5)C

DOS

IR

Vibrations