Geometry & MOs

Info

ID:	209872
PubChem CID:	80732895
Reduced:	ClO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-77.58
Dipole, Da:	2.86
IP(EA), eV:	-9.64(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methoxy-3-methylbutan-2-yl)-3-nitro-5-propan-2-yloxyaniline

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=N1)Cl)C=O)NC2CCCCC2O

DOS

IR

Vibrations