Geometry & MOs

Info

ID:	291917
PubChem CID:	113775684
Reduced:	SN2O2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	231.148396
ΔH_f, kcal/mol:	-65.49
Dipole, Da:	5.98
IP(EA), eV:	-9.08(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1,2,4-benzotriazin-3-yl)-N-propylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCN)CC1=CC=C(C=C1)S(=O)(=O)C

DOS

IR

Vibrations