Geometry & MOs

Info

ID:	198235
PubChem CID:	79070725
Reduced:	BrN2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	295.262363
ΔH_f, kcal/mol:	-4.0
Dipole, Da:	3.28
IP(EA), eV:	-8.63(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-ethyl-5-propylpiperazin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine

Drug info:

PubChemData

Smile

CCN(CC)C1(CCCC1)C(CC2=CC=C(C=C2)Br)N

DOS

IR

Vibrations