Geometry & MOs

Info

ID:	322305
PubChem CID:	126669689
Reduced:	ClN3C19H30 (1)
Stoich.:	AB3C19D30 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	3.25
Dipole, Da:	3.13
IP(EA), eV:	-8.22(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CCN1C[C@@H](N(C[C@@H]1C)C2CCNCC2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations