Geometry & MOs

Info

ID:	190988
PubChem CID:	78090906
Reduced:	NSO5C29H35 (1)
Stoich.:	ABC5D29E35 (1)
Weight, g/mol:	304.167459
ΔH_f, kcal/mol:	-132.19
Dipole, Da:	3.16
IP(EA), eV:	-8.31(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-6-(7-methyl-1,3-benzodioxol-4-yl)hept-2-enyl] acetate

Drug info:

PubChemData

Smile

CC1C=CC2CCCCC2C1C(=O)C3(CC4(C(CCN4C3=O)C(=O)OCC=C)O)SC5=CC=CC=C5

DOS

IR

Vibrations