Geometry & MOs

Info

ID:	422914
PubChem CID:	135118606
Reduced:	ClNO3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-96.38
Dipole, Da:	5.29
IP(EA), eV:	-9.02(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-ethoxyethoxy)phenyl]-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)C4=CC(=CC=C4)Cl)OCC2

DOS

IR

Vibrations