Geometry & MOs

Info

ID:	179758
PubChem CID:	76527171
Reduced:	O7C28H34 (1)
Stoich.:	A7B28C34 (1)
Weight, g/mol:	365.073153
ΔH_f, kcal/mol:	-233.45
Dipole, Da:	6.39
IP(EA), eV:	-9.53(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride

Drug info:

PubChemData

Smile

CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4OC(=O)C5=C(C=CC=C5O)C)C)O)O)CO

DOS

IR

Vibrations