Geometry & MOs

Info

ID:	362473
PubChem CID:	127307946
Reduced:	BrN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-153.53
Dipole, Da:	4.46
IP(EA), eV:	-8.25(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)CC2=CC3=C(C=C2Br)OCCO3

DOS

IR

Vibrations