Geometry & MOs

Info

ID:	170928
PubChem CID:	75303235
Reduced:	NOH21C22 (1)
Stoich.:	ABC21D22 (1)
Weight, g/mol:	428.256274
ΔH_f, kcal/mol:	21.59
Dipole, Da:	3.45
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(5,7,15-trihydroxy-10,14-dimethyl-15-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecanyl)prop-2-ynoate

Drug info:

PubChemData

Smile

CC1CC2=C(C=CC(=C2C(=N1)C)OC)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations