Geometry & MOs

Info

ID:	387833
PubChem CID:	134987084
Reduced:	ClN2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	217.126678
ΔH_f, kcal/mol:	-45.24
Dipole, Da:	3.45
IP(EA), eV:	-9.2(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-3-fluoro-1-methylisoquinoline

Drug info:

PubChemData

Smile

CC1=C(CN2C(=O)C(=CC(=O)N2C1)Cl)C

DOS

IR

Vibrations