Geometry & MOs

Info

ID:	226860
PubChem CID:	87558663
Reduced:	BPO2F4C9H14 (2)
Stoich.:	ABC2D4E9F14 (2)
Weight, g/mol:	305.235479
ΔH_f, kcal/mol:	-879.99
Dipole, Da:	13.5
IP(EA), eV:	-9.73(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-1-hydroxyimino-5-methyl-2-phenyldodecan-3-ol

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C[C@H]1[C@H]([C@@H]([C@@H](P1C2=CC=CC=C2P3[C@H]([C@H]([C@@H]([C@@H]3C)O)O)C)C)O)O

DOS

IR

Vibrations