Geometry & MOs

Info

ID:	295949
PubChem CID:	117548491
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-112.78
Dipole, Da:	3.13
IP(EA), eV:	-9.26(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-pyridin-4-yloxetan-3-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2(COC2)C(=O)OC)C

DOS

IR

Vibrations