Geometry & MOs

Info

ID:	255467
PubChem CID:	103132289
Reduced:	NO2C11H23 (1)
Stoich.:	AB2C11D23 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-126.71
Dipole, Da:	5.04
IP(EA), eV:	-8.53(2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isoquinolin-8-yl-4-(propan-2-ylamino)butan-2-ol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(C)(CCNC)O

DOS

IR

Vibrations