Geometry & MOs

Info

ID:	255986
PubChem CID:	103136083
Reduced:	O4C11H18 (1)
Stoich.:	A4B11C18 (1)
Weight, g/mol:	255.083019
ΔH_f, kcal/mol:	-199.2
Dipole, Da:	4.43
IP(EA), eV:	-9.92(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(2-methyl-1,3-thiazol-4-yl)methanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC2(CCOC2)C(=O)O

DOS

IR

Vibrations