Geometry & MOs

Info

ID:	220808
PubChem CID:	85240056
Reduced:	NO2H5C7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	272.125988
ΔH_f, kcal/mol:	-38.24
Dipole, Da:	7.15
IP(EA), eV:	-9.07(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanedioate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=NC(=O)C(=O)N=C31)CC(=O)O

DOS

IR

Vibrations