Geometry & MOs

Info

ID:	75032
PubChem CID:	48422890
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-98.55
Dipole, Da:	2.72
IP(EA), eV:	-8.74(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C2=CC(=CC=C2)OC)OCC3CC3

DOS

IR

Vibrations