Geometry & MOs

Info

ID:	375439
PubChem CID:	131529707
Reduced:	BrN2F3H6C9 (1)
Stoich.:	AB2C3D6E9 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-101.58
Dipole, Da:	2.29
IP(EA), eV:	-10.36(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-amino(cyclobutyl)methyl]-5-ethylphenol

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(F)(F)F)Br)[C@H](C#N)N

DOS

IR

Vibrations