Geometry & MOs

Info

ID:	383357
PubChem CID:	134975035
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	436.203845
ΔH_f, kcal/mol:	-42.07
Dipole, Da:	1.84
IP(EA), eV:	-9.13(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,26,27-triol

Drug info:

PubChemData

Smile

COC1=NC(=C(C(=C1)C2=CC=CC=C2)/C=C\C(=O)OC)C=C

DOS

IR

Vibrations