Geometry & MOs

Info

ID:	172189
PubChem CID:	75476669
Reduced:	BrON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	320.108482
ΔH_f, kcal/mol:	2.67
Dipole, Da:	6.83
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-difluoro-N-(6-methoxypyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCCNC2=C(C=C(C=C2)Br)C#N

DOS

IR

Vibrations