Geometry & MOs

Info

ID:	216099
PubChem CID:	85085713
Reduced:	ON4C12H12 (1)
Stoich.:	AB4C12D12 (1)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	26.89
Dipole, Da:	5.82
IP(EA), eV:	-8.78(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-cyclopropylbut-3-enyl)-1,3-dioxolan-2-yl]acetic acid

Drug info:

PubChemData

Smile

C1NC2=C(N=CN2C(=O)N1)CC3=CC=CC=C3

DOS

IR

Vibrations