Geometry & MOs

Info

ID:	437057
PubChem CID:	135214288
Reduced:	ON2F3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	393.187484
ΔH_f, kcal/mol:	-180.04
Dipole, Da:	2.91
IP(EA), eV:	-9.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-benzothiophen-2-yl)propan-2-yl]-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=N1)C(F)(F)F)N2CCOCC2

DOS

IR

Vibrations