Geometry & MOs

Info

ID:	256450
PubChem CID:	103139291
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	-99.53
Dipole, Da:	2.49
IP(EA), eV:	-9.06(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,2-dimethylthiomorpholin-4-yl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCCCC2C=O

DOS

IR

Vibrations