Geometry & MOs

Info

ID:	405815
PubChem CID:	135075574
Reduced:	NOPCl3F3C8H10 (1)
Stoich.:	ABCD3E3F8G10 (1)
Weight, g/mol:	230.167065
ΔH_f, kcal/mol:	-298.95
Dipole, Da:	4.69
IP(EA), eV:	-9.8(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,7S,8Z,11S)-1,8-dimethyltricyclo[9.3.0.03,7]tetradeca-5,8-dien-2-one

Drug info:

PubChemData

Smile

CC1=C(CN(C(C1)(C(F)(F)F)Cl)P(=O)(Cl)Cl)C

DOS

IR

Vibrations