Geometry & MOs

Info

ID:	410453
PubChem CID:	135083250
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	238.078822
ΔH_f, kcal/mol:	-19.38
Dipole, Da:	4.41
IP(EA), eV:	-8.77(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxycyclohepta-2,4,6-trien-1-ylidene)-methyloxidanium;tetrafluoroborate

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=CC(=O)C(=C1)C)C

DOS

IR

Vibrations