Geometry & MOs

Info

ID:	448826
PubChem CID:	135293848
Reduced:	OSN6C24H24 (1)
Stoich.:	ABC6D24E24 (1)
Weight, g/mol:	488.303893
ΔH_f, kcal/mol:	82.79
Dipole, Da:	5.88
IP(EA), eV:	-8.5(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethylhexan-3-yl)-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-3,5-dimethylbenzohydrazide

Drug info:

PubChemData

Smile

CC=NC1=C(N=CN=C1N2CCC[C@@H]2COC3=CC=CC=C3C4=NC5=CC=CC=C5S4)N

DOS

IR

Vibrations