Geometry & MOs

Info

ID:	351503
PubChem CID:	127280391
Reduced:	N3O4C18H31 (1)
Stoich.:	A3B4C18D31 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-183.38
Dipole, Da:	3.37
IP(EA), eV:	-8.68(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-1-[4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)CN2CCCC2)OCC3CCCO3

DOS

IR

Vibrations