Geometry & MOs

Info

ID:	75371
PubChem CID:	48423390
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-98.28
Dipole, Da:	2.91
IP(EA), eV:	-8.31(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(CNC(=O)C(CC1=CC=CC=C1)NC(=O)OC)N2CCC3=CC=CC=C32

DOS

IR

Vibrations