Geometry & MOs

Info

ID:	77430
PubChem CID:	48430615
Reduced:	BrO2N4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	309.07283
ΔH_f, kcal/mol:	-0.79
Dipole, Da:	2.97
IP(EA), eV:	-8.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CN2C(=O)N3C=CC=CC3=N2)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations