Geometry & MOs

Info

ID:	196164
PubChem CID:	78792066
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	342.04015
ΔH_f, kcal/mol:	-92.94
Dipole, Da:	3.54
IP(EA), eV:	-8.51(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(2-methylcyclopropyl)methanone

Drug info:

PubChemData

Smile

CCCN(CC1CC1)C(=O)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations