Geometry & MOs

Info

ID:	366316
PubChem CID:	127319781
Reduced:	BrO3N4H15C16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	-48.66
Dipole, Da:	5.32
IP(EA), eV:	-9.24(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-4-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

Drug info:

PubChemData

Smile

C1CN2C=CN=C2CN1C(=O)CN3C(=O)COC4=C3C=CC(=C4)Br

DOS

IR

Vibrations