Geometry & MOs

Info

ID:	74469
PubChem CID:	48421921
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	309.205242
ΔH_f, kcal/mol:	-61.25
Dipole, Da:	2.12
IP(EA), eV:	-9.13(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=NC2=CC=CC=C2S1)C(=O)C(CC3=CC=CC=C3)NC(=O)OC

DOS

IR

Vibrations