Geometry & MOs

Info

ID:	123416
PubChem CID:	50846459
Reduced:	N3O3C27H35 (1)
Stoich.:	A3B3C27D35 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-95.31
Dipole, Da:	6.27
IP(EA), eV:	-8.51(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[1-(3-methylbenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=O)N2CCCC(C2)COC3=CC=CC(=C3)C(=O)N4CCCCC4

DOS

IR

Vibrations