Geometry & MOs

Info

ID:	249766
PubChem CID:	103091940
Reduced:	BrNSC9H12 (1)
Stoich.:	ABCD9E12 (1)
Weight, g/mol:	192.126263
ΔH_f, kcal/mol:	25.89
Dipole, Da:	1.88
IP(EA), eV:	-9.21(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(6-methoxypyridin-3-yl)-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C/C1=C(C=CS1)Br)/C)N

DOS

IR

Vibrations