Geometry & MOs

Info

ID:	423533
PubChem CID:	135119688
Reduced:	NO3C21H33 (1)
Stoich.:	AB3C21D33 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	-196.58
Dipole, Da:	5.93
IP(EA), eV:	-9.27(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O)O

DOS

IR

Vibrations