Geometry & MOs

Info

ID:	220970
PubChem CID:	85248033
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-138.97
Dipole, Da:	0.61
IP(EA), eV:	-8.61(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,5-dimethoxy-3-methylpent-2-enyl)-4-methoxybenzene

Drug info:

PubChemData

Smile

COC(=O)C(=CN)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations