Geometry & MOs

Info

ID:	240945
PubChem CID:	93618346
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-78.81
Dipole, Da:	4.04
IP(EA), eV:	-9.59(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1OCCNC(=O)CN2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations