Geometry & MOs

Info

ID:	204663
PubChem CID:	79995168
Reduced:	BrNO2S3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-25.23
Dipole, Da:	3.88
IP(EA), eV:	-9.14(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[cycloheptyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine

Drug info:

PubChemData

Smile

CCC(C1=CC=CS1)NS(=O)(=O)C2=CC(=C(S2)Br)C

DOS

IR

Vibrations