Geometry & MOs

Info

ID:	74430
PubChem CID:	48421862
Reduced:	SN2O3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	323.220892
ΔH_f, kcal/mol:	-83.19
Dipole, Da:	5.03
IP(EA), eV:	-9.28(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=CS2)OCC3CC3

DOS

IR

Vibrations