Geometry & MOs

Info

ID:	396536
PubChem CID:	135028693
Reduced:	BrON2H17C21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	317.123821
ΔH_f, kcal/mol:	73.28
Dipole, Da:	3.48
IP(EA), eV:	-8.82(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(E)-3-phenylprop-2-enyl]naphthalene-1-carbothioamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=NC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations