Geometry & MOs

Info

ID:	26161
PubChem CID:	639296
Reduced:	N4H6C9 (1)
Stoich.:	A4B6C9 (1)
Weight, g/mol:	322.250795
ΔH_f, kcal/mol:	104.93
Dipole, Da:	0.38
IP(EA), eV:	-9.63(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,4S,5E,7S,10Z,14R)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-diene-2,4-diol

Drug info:

PubChemData

Smile

C1=CN=CC2=C1N3C(=CC=N3)N=C2

DOS

IR

Vibrations