Geometry & MOs

Info

ID:	297195
PubChem CID:	117612632
Reduced:	N6C13H16 (1)
Stoich.:	A6B13C16 (1)
Weight, g/mol:	584.466542
ΔH_f, kcal/mol:	100.15
Dipole, Da:	2.07
IP(EA), eV:	-9.14(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[bis(2-ethylhexyl)amino]-2,6-dimethoxyphenyl]imino-2,5-ditert-butylpyrazol-3-one

Drug info:

PubChemData

Smile

CN(CC1=C(NN=C1)C2=CN3C=CN=C3C=C2)CN

DOS

IR

Vibrations