Geometry & MOs

Info

ID:	65616
PubChem CID:	46386680
Reduced:	ON5C27H29 (1)
Stoich.:	AB5C27D29 (1)
Weight, g/mol:	429.196489
ΔH_f, kcal/mol:	44.1
Dipole, Da:	7.21
IP(EA), eV:	-8.45(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2=NC3=C(C(=C(N3C4=CC=CC=C4)C)C)C(=N2)N5CCCC5

DOS

IR

Vibrations