Geometry & MOs

Info

ID:	129497
PubChem CID:	51072839
Reduced:	O2S2N3C16H19 (1)
Stoich.:	A2B2C3D16E19 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-15.59
Dipole, Da:	5.85
IP(EA), eV:	-8.68(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C(=O)NC3=NC(=CS3)CN4CCOCC4

DOS

IR

Vibrations