Geometry & MOs

Info

ID:	255564
PubChem CID:	103133014
Reduced:	BrNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-82.38
Dipole, Da:	1.94
IP(EA), eV:	-8.99(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(tert-butylamino)-1-isoquinolin-8-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=CC=C2Br)CNC(C)C

DOS

IR

Vibrations