Geometry & MOs

Info

ID:	265577
PubChem CID:	103531426
Reduced:	BrNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	253.086957
ΔH_f, kcal/mol:	-65.22
Dipole, Da:	6.41
IP(EA), eV:	-9.46(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(3-methoxypyrrolidin-1-yl)-2-phenylethanone

Drug info:

PubChemData

Smile

COC1CCN(C1)C(=O)C2=CC=C(C=C2)CBr

DOS

IR

Vibrations