Geometry & MOs

Info

ID:	342902
PubChem CID:	127266065
Reduced:	BrOSN3C10H12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	9.63
Dipole, Da:	7.73
IP(EA), eV:	-9.9(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[[[2-(methylamino)benzoyl]amino]methyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCC(CC#N)NC(=O)C1=C(SC(=N1)C)Br

DOS

IR

Vibrations