Geometry & MOs

Info

ID:	74978
PubChem CID:	48422780
Reduced:	NO2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-83.17
Dipole, Da:	4.18
IP(EA), eV:	-9.03(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C1=CC2=C(CCCC2)C=C1)NC(=O)C(C)OCC3CC3

DOS

IR

Vibrations