Geometry & MOs

Info

ID:	202103
PubChem CID:	79629630
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	315.04701
ΔH_f, kcal/mol:	-89.96
Dipole, Da:	3.67
IP(EA), eV:	-8.57(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(aminomethyl)-4-bromophenoxy]-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)SCC(C)(C)C(=O)O

DOS

IR

Vibrations