Geometry & MOs

Info

ID:	257071
PubChem CID:	103143550
Reduced:	SN3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	297.129969
ΔH_f, kcal/mol:	72.82
Dipole, Da:	1.37
IP(EA), eV:	-8.99(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CC(C2=CC=CC3=C2C=NC=C3)NC

DOS

IR

Vibrations