Geometry & MOs

Info

ID:	184165
PubChem CID:	77123034
Reduced:	ClFION2H13C14 (1)
Stoich.:	ABCDE2F13G14 (1)
Weight, g/mol:	347.06332
ΔH_f, kcal/mol:	-29.82
Dipole, Da:	5.25
IP(EA), eV:	-9.88(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-isoquinolin-1-yl-6-propan-2-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCCC1=NC(=NC(=O)C1I)CC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations