Geometry & MOs

Info

ID:	370863
PubChem CID:	127341148
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	38.76
Dipole, Da:	4.74
IP(EA), eV:	-8.87(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1C2CC2)CN3CCC4=C(C3)C=C(C=C4)O

DOS

IR

Vibrations