Geometry & MOs

Info

ID:	216347
PubChem CID:	85086080
Reduced:	N4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	256.092186
ΔH_f, kcal/mol:	48.44
Dipole, Da:	5.01
IP(EA), eV:	-9.12(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-naphthalen-2-yl hex-2-enethioate

Drug info:

PubChemData

Smile

CN1C2CCC1CC3(C2)CN=C(N3)C4=CC=NC=C4

DOS

IR

Vibrations