Geometry & MOs

Info

ID:	1973
PubChem CID:	5474
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-112.7
Dipole, Da:	4.59
IP(EA), eV:	-8.3(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methylisoquinolin-1-one

Drug info:

PubChemData

Smile

CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O

DOS

IR

Vibrations