Geometry & MOs

Info

ID:	186137
PubChem CID:	77395981
Reduced:	N2F3O3C33H45 (1)
Stoich.:	A2B3C3D33E45 (1)
Weight, g/mol:	395.282429
ΔH_f, kcal/mol:	-273.26
Dipole, Da:	8.62
IP(EA), eV:	-9.99(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,24-dimethyl-11-oxa-6-azaheptacyclo[13.11.0.02,12.04,12.05,10.016,25.019,24]hexacosa-1,18-dien-21-ol

Drug info:

PubChemData

Smile

CC1(CCC(CCC2(C(CC1)C(=O)C=C3C2(CCC4C3(C=C(C(=O)C4(C)C)C#N)C)C)C)C(=O)NCC(F)(F)F)C

DOS

IR

Vibrations