Geometry & MOs

Info

ID:	121370
PubChem CID:	50765475
Reduced:	ClFON4H18C21 (1)
Stoich.:	ABCD4E18F21 (1)
Weight, g/mol:	360.175025
ΔH_f, kcal/mol:	2.38
Dipole, Da:	3.01
IP(EA), eV:	-8.22(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-fluorophenyl)-2,5,6-trimethyl-N-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N(C2=NC=NC(=C12)NC3=CC(=C(C=C3)OC)Cl)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations