Geometry & MOs

Info

ID:	19363
PubChem CID:	562739
Reduced:	BrN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	348.04734
ΔH_f, kcal/mol:	-10.22
Dipole, Da:	2.75
IP(EA), eV:	-8.88(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzylpiperazin-1-yl)-(5-bromofuran-2-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations