Geometry & MOs

Info

ID:	206669
PubChem CID:	80279906
Reduced:	BrO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-109.06
Dipole, Da:	7.38
IP(EA), eV:	-9.45(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(2-hydroxyphenyl)acetyl]-4-methylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)C(=O)C2CCOC2C)Br

DOS

IR

Vibrations