Geometry & MOs

Info

ID:	413605
PubChem CID:	135086554
Reduced:	ClO2N4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	388.279757
ΔH_f, kcal/mol:	-7.99
Dipole, Da:	4.63
IP(EA), eV:	-9.19(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3E,7E,11R)-13-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethylbicyclo[9.4.0]pentadeca-3,7,13-triene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Cl)C=C1CN=[N+]=[N-]

DOS

IR

Vibrations