Geometry & MOs

Info

ID:	262135
PubChem CID:	103272153
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-35.6
Dipole, Da:	8.17
IP(EA), eV:	-8.49(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(2-propan-2-ylphenoxy)cyclobutyl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2CCN=C3N2C=C(N3)C(=O)O)C

DOS

IR

Vibrations