Geometry & MOs

Info

ID:	46013
PubChem CID:	10520423
Reduced:	BrNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	330.159611
ΔH_f, kcal/mol:	-122.47
Dipole, Da:	1.41
IP(EA), eV:	-10.1(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-dimethoxyphosphoryl-11-hydroxy-7,10,10-trimethylundec-7-en-3-yn-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H]2C=C[C@@H]1C(=C2C(=O)OC)Br

DOS

IR

Vibrations