Geometry & MOs

Info

ID:	75272
PubChem CID:	48423263
Reduced:	SN2O2C17H26 (1)
Stoich.:	AB2C2D17E26 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-42.97
Dipole, Da:	4.62
IP(EA), eV:	-8.91(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(cyclopropylmethoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)CC2=CC=CS2)OCC3CC3

DOS

IR

Vibrations