Geometry & MOs

Info

ID:	255607
PubChem CID:	103133351
Reduced:	BrNO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	-94.27
Dipole, Da:	4.34
IP(EA), eV:	-8.84(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-isoquinolin-8-yl-2-methylbutan-1-one

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=CC(=C(C=C2)Br)CNCC(C)C

DOS

IR

Vibrations