Geometry & MOs

Info

ID:	400373
PubChem CID:	135047730
Reduced:	OC13H14 (1)
Stoich.:	AB13C14 (1)
Weight, g/mol:	386.045274
ΔH_f, kcal/mol:	4.13
Dipole, Da:	0.72
IP(EA), eV:	-8.68(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;1-[(1S)-1,4-dimethoxycyclohexa-2,4-dien-1-yl]-4-methoxybenzene;iron

Drug info:

PubChemData

Smile

COC1=C[C@H](CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations