Geometry & MOs

Info

ID:	351501
PubChem CID:	127280389
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	-110.37
Dipole, Da:	6.13
IP(EA), eV:	-9.04(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-cyclopropyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)CN2CCCC2)OCC3=CC=CC=C3

DOS

IR

Vibrations