Geometry & MOs

Info

ID:	374755
PubChem CID:	131342634
Reduced:	BrN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	276.02621
ΔH_f, kcal/mol:	-54.76
Dipole, Da:	4.07
IP(EA), eV:	-9.36(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(7-bromoquinolin-2-yl)but-3-en-1-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C=C(C(=O)N2)[C@@H](CO)N

DOS

IR

Vibrations