Geometry & MOs

Info

ID:	447556
PubChem CID:	135283832
Reduced:	ON4H12C13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	467.02922
ΔH_f, kcal/mol:	39.34
Dipole, Da:	2.46
IP(EA), eV:	-8.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-bromo-4-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=CN2)C3=CC=NC=C3)C(=N1)OC

DOS

IR

Vibrations