Geometry & MOs

Info

ID:	26625
PubChem CID:	794097
Reduced:	ClN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	312.104482
ΔH_f, kcal/mol:	-69.32
Dipole, Da:	2.19
IP(EA), eV:	-9.59(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(dimethylamino)phenyl]-1-(7-methyl-2,1,3-benzothiadiazol-4-yl)methanimine oxide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations