Geometry & MOs

Info

ID:	252742
PubChem CID:	103113694
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	245.047027
ΔH_f, kcal/mol:	-113.18
Dipole, Da:	1.53
IP(EA), eV:	-10.25(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-nitro-3-[(sulfamoylamino)methyl]benzene

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC(=O)NC(C)(C)CC)C(=O)OC

DOS

IR

Vibrations