Geometry & MOs

Info

ID:	243024
PubChem CID:	99215132
Reduced:	ClN3O3C23H30 (1)
Stoich.:	AB3C3D23E30 (1)
Weight, g/mol:	432.08487
ΔH_f, kcal/mol:	-89.78
Dipole, Da:	5.04
IP(EA), eV:	-8.39(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-4-(4-fluorophenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1Cl)C(=O)NC2=CC=CC(=C2)CN3CCN(CC3)C)OC

DOS

IR

Vibrations