Geometry & MOs

Info

ID:	207638
PubChem CID:	80430568
Reduced:	ON2S2C10H10 (1)
Stoich.:	AB2C2D10E10 (1)
Weight, g/mol:	240.162649
ΔH_f, kcal/mol:	27.91
Dipole, Da:	4.41
IP(EA), eV:	-9.2(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylcyclohexyl)isoquinolin-8-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)SC2=NC=NS2)O

DOS

IR

Vibrations