Geometry & MOs

Info

ID:	257072
PubChem CID:	103143551
Reduced:	SN3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	297.129969
ΔH_f, kcal/mol:	63.38
Dipole, Da:	3.66
IP(EA), eV:	-8.27(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-isoquinolin-8-yl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

CCNC(CC1=NC(=CS1)C)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations