Geometry & MOs

Info

ID:	76397
PubChem CID:	48424871
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	239.188529
ΔH_f, kcal/mol:	-137.77
Dipole, Da:	4.57
IP(EA), eV:	-9.4(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC(=CC=C1)C(=O)N2CCOCC2)OCC3CC3

DOS

IR

Vibrations