Geometry & MOs

Info

ID:	65614
PubChem CID:	46386678
Reduced:	ClON5C27H28 (1)
Stoich.:	ABC5D27E28 (1)
Weight, g/mol:	479.193295
ΔH_f, kcal/mol:	34.13
Dipole, Da:	5.03
IP(EA), eV:	-8.53(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)C2=NC3=C(C(=C(N3C4=CC(=CC=C4)Cl)C)C)C(=N2)N5CCCC5

DOS

IR

Vibrations