Geometry & MOs

Info

ID:	327158
PubChem CID:	126689122
Reduced:	BrINOSC14H17 (2)
Stoich.:	ABCDEF14G17 (2)
Weight, g/mol:	352.156261
ΔH_f, kcal/mol:	2.27
Dipole, Da:	2.34
IP(EA), eV:	-8.5(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluoro-N-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CCCCC(CC)CN1C2=C(/C(=C/3\C4=C(C(=C(S4)I)Br)N(C3=O)CC(CC)CCCC)/C1=O)SC(=C2Br)I

DOS

IR

Vibrations