Geometry & MOs

Info

ID:	355068
PubChem CID:	127287929
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	366.05791
ΔH_f, kcal/mol:	-35.08
Dipole, Da:	6.22
IP(EA), eV:	-9.4(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[4-(4-bromophenyl)oxan-4-yl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=CC=CC=C2)N3CCN(CC3)C(=O)[C@H]4CCC(=O)N4

DOS

IR

Vibrations