Geometry & MOs

Info

ID:	185239
PubChem CID:	77273896
Reduced:	SO3N4C25H26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	-36.78
Dipole, Da:	5.77
IP(EA), eV:	-9.56(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[cyclopropyl(methyl)amino]cyclohexyl]oxy-8aH-isoquinolin-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC=C(C=C2)S(=O)(=O)NC3CCN(C3=O)CC4=CC(=CC=C4)C(=N)N

DOS

IR

Vibrations