Geometry & MOs

Info

ID:	282348
PubChem CID:	103923014
Reduced:	BrSO2N3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	45.53
Dipole, Da:	3.01
IP(EA), eV:	-9.5(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-cyclopropylpropan-2-ylamino)methyl]benzoate

Drug info:

PubChemData

Smile

CC(C)(C1=NC=CS1)NCC2=C(C=CC(=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations