Geometry & MOs

Info

ID:	222354
PubChem CID:	85297211
Reduced:	O4N7C19H19 (1)
Stoich.:	A4B7C19D19 (1)
Weight, g/mol:	406.30831
ΔH_f, kcal/mol:	-17.85
Dipole, Da:	9.03
IP(EA), eV:	-9.57(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-4-(5-hydroxy-3-methylpent-3-enyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-yl] 3-methylbutanoate

Drug info:

PubChemData

Smile

CN1C2C(C(N(C1=O)C)N(N2)C(=O)C3=CN=CC=C3)N=NC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations