Geometry & MOs

Info

ID:	74695
PubChem CID:	48422304
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	345.172228
ΔH_f, kcal/mol:	-119.66
Dipole, Da:	5.7
IP(EA), eV:	-8.24(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C(C)(C)C)OCC2CC2

DOS

IR

Vibrations