Geometry & MOs

Info

ID:	216002
PubChem CID:	85085562
Reduced:	O2N4C9H14 (1)
Stoich.:	A2B4C9D14 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-44.36
Dipole, Da:	7.14
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methoxyethenyl)-5-methylcyclohex-2-en-1-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)N=CNC1=CN(C(=N1)C)C

DOS

IR

Vibrations