Geometry & MOs

Info

ID:	398532
PubChem CID:	135033691
Reduced:	SN2C9H10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	45.39
Dipole, Da:	3.04
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-2-(2-methoxycyclohexylidene)ethyl]benzene

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)SC

DOS

IR

Vibrations