Geometry & MOs

Info

ID:	172018
PubChem CID:	75455225
Reduced:	BrO2N3F4H14C16 (1)
Stoich.:	AB2C3D4E14F16 (1)
Weight, g/mol:	261.128427
ΔH_f, kcal/mol:	-230.26
Dipole, Da:	2.16
IP(EA), eV:	-9.53(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N-hex-5-yn-3-ylcyclobutan-1-amine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC(=NC3=C2C=C(C=C3F)Br)C(F)(F)F)C(=O)CO

DOS

IR

Vibrations