Geometry & MOs

Info

ID:	311923
PubChem CID:	126599399
Reduced:	BrSN2O2C14H19 (1)
Stoich.:	ABC2D2E14F19 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	-6.81
Dipole, Da:	2.57
IP(EA), eV:	-7.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-3-methylhex-4-en-2-yl) acetate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=CC(=C2)Br)C(=O)OCCS(C)(C)C

DOS

IR

Vibrations