Geometry & MOs

Info

ID:	256346
PubChem CID:	103138668
Reduced:	SN3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	76.35
Dipole, Da:	3.49
IP(EA), eV:	-8.17(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(2-methyl-2-methylsulfonylpropyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CN(CCC1=CC=CS1)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations