Geometry & MOs

Info

ID:	345987
PubChem CID:	127270304
Reduced:	BrN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	308.167083
ΔH_f, kcal/mol:	-112.92
Dipole, Da:	0.68
IP(EA), eV:	-9.13(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC=C2Br)C(=O)N3CCOCC3

DOS

IR

Vibrations