Geometry & MOs

Info

ID:	256514
PubChem CID:	103139674
Reduced:	ClON2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	299.109233
ΔH_f, kcal/mol:	-45.02
Dipole, Da:	5.64
IP(EA), eV:	-8.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylthiadiazol-5-yl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(C3=C2C=C(C=C3)Cl)CC(C)N

DOS

IR

Vibrations