Geometry & MOs

Info

ID:	71785
PubChem CID:	48415388
Reduced:	BrN2O2C18H23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	416.07356
ΔH_f, kcal/mol:	-13.44
Dipole, Da:	4.15
IP(EA), eV:	-8.87(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(4-bromophenoxy)methyl]furan-2-yl]-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)CCC#C)Br

DOS

IR

Vibrations