Geometry & MOs

Info

ID:	256256
PubChem CID:	103138019
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	296.13472
ΔH_f, kcal/mol:	-54.68
Dipole, Da:	2.84
IP(EA), eV:	-8.68(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-dimethylthiophen-2-yl)-isoquinolin-8-ylmethyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=O)C=CC(=N2)N

DOS

IR

Vibrations