Geometry & MOs

Info

ID:	205887
PubChem CID:	80172940
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	275.132157
ΔH_f, kcal/mol:	-78.43
Dipole, Da:	2.61
IP(EA), eV:	-8.97(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-[[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC1CC(=O)N(C1)CC2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations