Geometry & MOs

Info

ID:	257003
PubChem CID:	103143007
Reduced:	ClION2C9H12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	297.118735
ΔH_f, kcal/mol:	-0.71
Dipole, Da:	5.36
IP(EA), eV:	-9.16(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(C(=N2)I)Cl

DOS

IR

Vibrations