Geometry & MOs

Info

ID:	256710
PubChem CID:	103140880
Reduced:	NOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	292.078268
ΔH_f, kcal/mol:	-17.71
Dipole, Da:	1.01
IP(EA), eV:	-9.21(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1H-benzimidazol-2-ylsulfanyl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1(CCC(C1)O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations