Geometry & MOs

Info

ID:	76284
PubChem CID:	48424729
Reduced:	SO2N3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-52.04
Dipole, Da:	2.91
IP(EA), eV:	-8.53(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N2CCCN(CC2)C(=O)C(C)OCC3CC3

DOS

IR

Vibrations