Geometry & MOs

Info

ID:	250044
PubChem CID:	103093774
Reduced:	BrNSC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	332.08881
ΔH_f, kcal/mol:	17.19
Dipole, Da:	1.44
IP(EA), eV:	-9.03(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=C(C=CS1)Br)/C

DOS

IR

Vibrations