Geometry & MOs

Info

ID:	121368
PubChem CID:	50765349
Reduced:	ClO2N3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	376.169939
ΔH_f, kcal/mol:	-19.35
Dipole, Da:	2.93
IP(EA), eV:	-8.68(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations