Geometry & MOs

Info

ID:	403148
PubChem CID:	135058971
Reduced:	ClB2N2O4C21H33 (1)
Stoich.:	AB2C2D4E21F33 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-308.7
Dipole, Da:	6.7
IP(EA), eV:	-8.46(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2/C=N/N(C)C)B3OC(C(O3)(C)C)(C)C)Cl

DOS

IR

Vibrations