Geometry & MOs

Info

ID:	374736
PubChem CID:	131342572
Reduced:	NH6C7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	294.98196
ΔH_f, kcal/mol:	87.53
Dipole, Da:	4.01
IP(EA), eV:	-9.35(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-aminoprop-2-enyl]-6-bromo-4-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

C=C[C@H](C1=CC2=CC=CC=C2C(=C1)C#N)N

DOS

IR

Vibrations