Geometry & MOs

Info

ID:	171457
PubChem CID:	75379143
Reduced:	BrOF2N2H17C18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	-87.66
Dipole, Da:	4.01
IP(EA), eV:	-9.13(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-benzylcyclobutanecarbonyl)piperazin-1-yl]-cyclobutylmethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(C2=CC=C(C=C2)Br)C(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations