Geometry & MOs

Info

ID:	441779
PubChem CID:	135244453
Reduced:	FO4N7C26H26 (1)
Stoich.:	AB4C7D26E26 (1)
Weight, g/mol:	357.266779
ΔH_f, kcal/mol:	5.06
Dipole, Da:	3.84
IP(EA), eV:	-9.47(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-4-methylidene-6-(2-methylpropylamino)-5-pentylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCOC1=NC(=NN2C1=NC=C2C3[C@@H]([C@@H](C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)F)N=[N+]=[N-]

DOS

IR

Vibrations